SCHEMBL5772102

SCHEMBL5772102

FC(F)(F)c1nc(Cl)c2[nH]c(-c3ccccc3)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 18/20 0.60
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5772086 0.83 NPY5R (0.60) NPY5RMEN1NPC1POLBMAPT
SCHEMBL5776765 0.80 NPY5R (0.51) NPY5RCCNB2CDK1CCNB1GSK3A
SCHEMBL5771479 0.79 NPY5R (0.57) NPY5RCCNB2CDK1CCNB1GSK3A
SCHEMBL5772401 0.79 NPY5R (0.70) NPY5R
SCHEMBL5770930 0.76 NPY5R (1.00) NPY5R
SCHEMBL5772065 0.75 NPY5R (0.50) NPY5RMEN1NPC1THRBPKM
SCHEMBL5773128 0.74 NPY5R (0.60) NPY5RCCNB2CDK1CCNB1GSK3A
SCHEMBL5774044 0.74 NPY5R (0.60) NPY5RCCNB2CDK1CCNB1GSK3A
Hydrochloric Acid SCHEMBL5772560 0.74 NPY5R (0.95) NPY5R
SCHEMBL5774215 0.73 NPY5R (0.62) 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