SCHEMBL5776830

SCHEMBL5776830

Cc1nc(Cl)c2nc(-c3ccc(OC(F)(F)F)cc3)cc-2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 1/20 0.41
DHODH Q02127 1/20 0.41
ACP1 P24666 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
SCN10A Q9Y5Y9 8/20 0.39
SCN5A Q14524 2/20 0.39
KCNH2 Q12809 3/20 0.39
SCN2A Q99250 2/20 0.39
SCN1A P35498 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
ALOX5 P09917 1/20 0.38
PDE2A O00408 2/20 0.38
PTGES O14684 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5773724 0.85 ADORA3 (0.44) PSDDHODHACP1ADORA3SCN10A
SCHEMBL5773790 0.84 KDM4E (0.48) MAPTMAPK1KDM4EGAA
SCHEMBL5772074 0.81 RAD51 (0.41) PSDMAPTKDM4EGAAL3MBTL1
SCHEMBL5772706 0.81 MEN1 (0.40) PSDMAPTMAPK1GAA
SCHEMBL5775897 0.81 MEN1 (0.45) DHODHADORA3MAPTKDM4EL3MBTL1
SCHEMBL5774543 0.78 ADORA1 (0.48) ADORA3MAPTKDM4EL3MBTL1
SCHEMBL5772572 0.76 KMO (0.43) MAPT
SCHEMBL5772068 0.75 XDH (0.47) SCN2AMAPTKDM4E
SCHEMBL5773374 0.72 MGAM (0.45) ADORA3GAA
SCHEMBL30449002 0.69 MAPT (0.45) DHODHACP1ADORA3SCN10ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed