SCHEMBL5774961

SCHEMBL5774961

Cc1nc(O)c2nc(-c3cccc(Cl)c3)cc-2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
PIN1 Q13526 1/20 0.41
TGFBR1 P36897 2/20 0.41
TGFBR2 P37173 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
CDC7 O00311 1/20 0.40
ESR2 Q92731 1/20 0.40
NPY5R Q15761 1/20 0.40
IDO1 P14902 2/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL5773374 0.86 MGAM (0.45) MGAMGAASIMGAM2PIN1
SCHEMBL5773383 0.85 CXCL12 (0.41) ADORA3
SCHEMBL5774357 0.84 ADORA3 (0.48) ADORA3CDC7
SCHEMBL5775574 0.82 KMO (0.44) CDC7NPY5R
SCHEMBL5774438 0.81 XDH (0.47) PIN1CDC7IDO1
SCHEMBL5772845 0.79 NPY5R (0.41) MGAMGAASIMGAM2TGFBR1
SCHEMBL5770748 0.79 MEN1 (0.43) ADORA3CDC7
Hydrochloric Acid SCHEMBL5777029 0.77 NPY5R (0.40) MGAMGAASIMGAM2TGFBR1
SCHEMBL5772019 0.77 TGFBR1 (0.39) MGAMGAASIMGAM2TGFBR1
SCHEMBL5774514 0.76 MEN1 (0.44) MGAMGAASIMGAM2ADORA3

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