SCHEMBL7463147

SCHEMBL7463147

N#C/C(=C\c1cc2ccccc2cn1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
KDM4E B2RXH2 7/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 4/20 0.46
NEK2 P51955 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 4/20 0.46
ALDH1A1 P00352 3/20 0.46
BLM P54132 2/20 0.46
TP53 P04637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2C9 P11712 2/20 0.45
LCK P06239 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ERBB2 P04626 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL7463154 1.00 MCL1 (0.53) MCL1KDM4EMAPTGAANEK2
SCHEMBL7467178 0.80 KMT2A (0.56) KDM4EMAPTNPC1RAB9AEGFR
SCHEMBL7461493 0.77 MAPT (0.48) KDM4EMAPTGAANPC1RAB9A
SCHEMBL7470135 0.77 LMNA (0.62) MCL1KDM4EMAPTNPC1RAB9A
SCHEMBL25670655 0.76 MCL1 (0.58) MCL1KDM4EMAPTGAANEK2
SCHEMBL7461370 0.76 ALDH1A1 (0.59) KDM4EMAPTGAARAB9AEGFR
SCHEMBL23171576 0.75 MCL1 (0.54) MCL1KDM4EMAPTGAANEK2
SCHEMBL27837846 0.75 PLAU (0.47) KDM4EGAANPC1RAB9AALDH1A1
SCHEMBL7470342 0.75 MEN1 (0.60) KDM4EMAPTRAB9AEGFRALDH1A1
SCHEMBL1388796 0.75 MCL1 (0.66) MCL1KDM4EMAPTGAANEK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700388-B1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-09-18 EP claimed
EP-0700388-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1996-03-13 EP claimed
WO-1995026341-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1995-10-05 WO claimed
EP-0700388-B1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-09-18 EP disclosed
US-5652250-A TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1997-07-29 US disclosed
EP-0700388-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1996-03-13 EP disclosed
WO-1995026341-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1995-10-05 WO disclosed