SCHEMBL5774058

SCHEMBL5774058

Fc1ccc(-c2cc3[nH]c(C4CC4)nc(Cl)c-3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
RPS6KA3 P51812 1/20 0.43
MAPK13 O15264 3/20 0.42
RAF1 P04049 3/20 0.42
MAPK9 P45984 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
KIT P10721 4/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PLAT P00750 1/20 0.36

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
SCHEMBL5773444 0.86 CSNK1A1 (0.42) CSNK1A1CSNK1DRPS6KA3MAPK13RAF1
SCHEMBL5773970 0.86 ADORA1 (0.49) MAPT
SCHEMBL5772074 0.80 RAD51 (0.41) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL5772305 0.72 ADORA3 (0.47) MAPT
SCHEMBL9857456 0.70 CSNK1A1 (0.75) CSNK1A1CSNK1DRPS6KA3MAPK13RAF1
SCHEMBL15824768 0.68 PTGS1 (0.43) CSNK1A1CSNK1DRPS6KA3MAPK13RAF1
SCHEMBL5772706 0.68 MEN1 (0.40) MAPT
SCHEMBL5775897 0.68 MEN1 (0.45) TP53MAPT
SCHEMBL5771482 0.67 KDM4E (0.47) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL5776767 0.67 KDM4E (0.47) MAPT

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 3 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