SCHEMBL5764019

SCHEMBL5764019

N#CCc1c(Cl)cccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
CSNK2A1 P68400 2/20 0.36
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIEZO1 Q92508 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
HSD11B1 P28845 1/20 0.32
GAA P10253 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29960432 1.00 TAAR1 (0.38) TAAR1CSNK2A1AKR1B1ALDH1A1PIEZO1
SCHEMBL779716 0.85 TAAR1 (0.44) TAAR1AKR1B1SMN1; SMN2CNR1GRIA1
SCHEMBL8130103 0.85 KDM4E (0.38) CSNK2A1ALDH1A1KDM4ETDP1EGFR
SCHEMBL1294116 0.78 GRIA1 (0.43) TAAR1AKR1B1ALDH1A1SMN1; SMN2CNR1
SCHEMBL958644 0.76 TAAR1 (0.55) TAAR1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL31454540 0.76 DYRK1A (0.33) CSNK2A1KDM4ETDP1EGFRSRC
SCHEMBL31459423 0.76 TAAR1 (0.38) TAAR1AKR1B1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12490313 0.76 DYRK1A (0.41) CSNK2A1ALDH1A1CNR1KDM4ETDP1
SCHEMBL534442 0.76 EED (0.37) TAAR1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL11114860 0.76 TAAR1 (0.38) TAAR1AKR1B1ALDH1A1SMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018023081-A1 6-PHENYLPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AS ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2018-02-01 WO disclosed
EP-0823908-B1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2006-11-02 EP disclosed
CN-1085666-C 6-aryl pyrido (2,3-d) pyrimidines and naphthyridines for inhibiting protein tyrosine kinase medicated cellular proliferation WARNER LAMBERT CO (US) 2002-05-29 CN disclosed
CN-1083452-C Pyrido (2, 3 -d) pyrimidines for inbibiting protein tyrosine kinase mediated cellular proliferation WARNER LAMBERT CO (US) 2002-04-24 CN disclosed
EP-0790997-B1 6-ARYL PYRIDO[2,3-d]PYRIMIDINES AND NAPHTHYRIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2000-03-22 EP disclosed
CN-1183099-A Pyrido [2, 3-d ] pyrimidines for inhibiting protein tyrosine kinase mediated cell proliferation WARNER LAMBERT CO (US) 1998-05-27 CN disclosed
US-5733914-A Pyrido 2, 3-d!pyrimidines for inhibiting protein tyrosine kinase mediated cellular proliferation WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
US-5733913-A TREATING ATHEROSCLEROSIS, POSTSURGICAL RESTENOSIS WARNER-LAMBERT COMPANY 1998-03-31 US disclosed
EP-0823908-A1 PYRIDO 2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1998-02-18 EP disclosed
CN-1169726-A 6-aryl pyrido (2,3-d) pyrimidines and naphthyridines for inhibiting protein tyrosine kinase medicated cellular proliferation WARNER LAMBERT CO (US) 1998-01-07 CN disclosed
EP-0790997-A2 6-ARYL PYRIDO( 2,3-d]PYRIMIDINES AND NAPHTHYRIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1997-08-27 EP disclosed
WO-1996034867-A1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-11-07 WO disclosed
WO-1996015128-A2 6-ARYL PYRIDO[2,3-d]PYRIMIDINES AND NAPHTHYRIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-05-23 WO disclosed
EP-0018151-B1 6-SUBSTITUTED-ARYLPYRIDO(2,3-D)PYRIMIDIN-7-AMINES, DERIVATIVES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING ANY OF THE FOREGOING, AND PROCESSES FOR PRODUCING ANY OF THE FOREGOING WARNER-LAMBERT COMPANY (US) 1984-01-25 EP disclosed
US-4271164-A HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1981-06-02 US disclosed
EP-0018151-A1 6-Substituted-arylpyrido(2,3-d)pyrimidin-7-amines, derivatives and salts thereof, pharmaceutical compositions containing any of the foregoing, and processes for producing any of the foregoing WARNER-LAMBERT COMPANY (US) 1980-10-29 EP disclosed