SCHEMBL5774514

SCHEMBL5774514

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 2/20 0.44
RAB9A P51151 2/20 0.44
RAD51 Q06609 1/20 0.41
USP2 O75604 1/20 0.39
ALOX5 P09917 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
GCGR P47871 2/20 0.35
MAPK14 Q16539 2/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALK Q9UM73 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5770748 0.88 MEN1 (0.43) MEN1NPC1KMT2AALOX15RAB9A
SCHEMBL5773383 0.85 CXCL12 (0.41) MEN1NPC1KMT2AALOX15RAB9A
SCHEMBL5774357 0.85 ADORA3 (0.48) MEN1KMT2AALOX15RAB9AALOX5
SCHEMBL5773819 0.83 KDM4E (0.48) MEN1NPC1KMT2AALOX15RAB9A
SCHEMBL5772074 0.82 RAD51 (0.41) MEN1NPC1KMT2AALOX15RAB9A
SCHEMBL5773724 0.81 ADORA3 (0.44) ADORA3GAAKDM4EMAPT
SCHEMBL5775574 0.80 KMO (0.44) MEN1NPC1KMT2ARAB9AALOX5
SCHEMBL5773444 0.78 CSNK1A1 (0.42) MEN1NPC1KMT2AALOX15RAB9A
SCHEMBL5774961 0.76 MGAM (0.43) ADORA3MGAMGAASIMGAM2
SCHEMBL5773685 0.76 NPY5R (0.40) RAD51KDM4EALDH1A1HPGDMAPT

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