SCHEMBL5767341

SCHEMBL5767341

Fc1cc(C(F)(F)F)cc2[nH]c(Nc3ccc(Oc4nsnc4Cc4ccccc4)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.38
CSNK1A1 P48729 2/20 0.37
CSNK1D P48730 2/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
TEK Q02763 5/20 0.34
KDR P35968 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CETP P11597 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL5767192 0.91 RIPK1 (0.40) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5447181 0.78 RAF1 (0.44) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5454095 0.77 PDE10A (0.38) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL4161466 0.75 KDR (0.53) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5454092 0.71 PDE10A (0.42) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5456254 0.71 RAF1 (0.44) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL4168762 0.71 RAF1 (0.38) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL4159414 0.69 RAB9A (0.42) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5449925 0.68 KDR (0.49) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5459650 0.68 RAF1 (0.43) PDE10ACSNK1A1CSNK1DGSK3BCSNK1G2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656377-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2006-05-17 EP claimed
WO-2005019216-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-03 WO claimed