SCHEMBL5773530

SCHEMBL5773530

Cc1ccc(-c2cc3nc(C)nc(Cl)c3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.58
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50

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
SCHEMBL5772704 0.91 NPY5R (0.56) NPY5RCCNB2CDK1CCNB1CCNB3
SCHEMBL5772401 0.89 NPY5R (0.70) NPY5R
SCHEMBL5772070 0.88 NPY5R (0.60) NPY5RCCNB2CDK1CCNB1GSK3A
SCHEMBL5773787 0.85 NPY5R (0.61) NPY5RCCNB2CDK1CCNB1GSK3A
SCHEMBL5772568 0.85 NPY5R (0.50) NPY5R
SCHEMBL5770751 0.81 NPY5R (0.58) NPY5RCCNB2CDK1CCNB1GSK3A
SCHEMBL5776833 0.81 NPY5R (0.47) NPY5R
SCHEMBL5773369 0.81 NPY5R (0.56) NPY5R
SCHEMBL5772872 0.77 NPY5R (0.68) NPY5R
SCHEMBL5774226 0.76 NPY5R (0.77) NPY5R

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