SCHEMBL6286060

SCHEMBL6286060

CSc1cc(-c2nc3cc(F)ccc3[nH]2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.40
METAP1 P53582 3/20 0.40
CBFB Q13951 3/20 0.40
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR3 P22607 2/20 0.38
TCF4 P15884 1/20 0.36
CTNNB1 P35222 1/20 0.36
AMY1A P0DUB6 5/20 0.36
GUSB P08236 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL5951474 0.83 CBFB (0.43) CBFBKDM4ENPC1RAB9A
SCHEMBL13373870 0.82 NPC1 (0.51) METAP2METAP1FGFR1FGFR2FGFR3
SCHEMBL5951763 0.80 METAP1 (0.51) METAP2METAP1CBFBAMY1AGUSB
SCHEMBL1170649 0.75 KDM4E (0.52) METAP2METAP1CBFBTCF4CTNNB1
SCHEMBL5952179 0.75 AMY1A (0.43) METAP2METAP1CBFBAMY1AGUSB
SCHEMBL19558136 0.75 SMN1; SMN2 (0.51) TCF4CTNNB1AMY1AKDM4ENPC1
SCHEMBL4812027 0.73 METAP2 (0.55) METAP2METAP1CBFBTCF4CTNNB1
SCHEMBL2867210 0.71 AXL (0.53) NPC1RAB9A
SCHEMBL17255161 0.71 NPC1 (0.47) TCF4CTNNB1GUSBKDM4ENPC1
SCHEMBL9531057 0.71 ALPL (0.40) KDM4ENPC1RAB9ASMN1; SMN2

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed