SCHEMBL14470749

SCHEMBL14470749

CBc1ccc(C(=O)Cn2c(=N)n(C)c3c(/C=C/CCC)cccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 12/20 0.53
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ BRSK1 Q8TDC3 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 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
SCHEMBL14373361 0.90 RAB9A (0.57) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14373363 0.89 CXCR3 (0.67) CXCR3KMT2ACLK2DYRK1ACLK4
SCHEMBL14373362 0.89 CXCR3 (0.62) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14470554 0.82 CXCR3 (0.77) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14373364 0.79 CXCR3 (0.53) CXCR3RAB9ANPC1KMT2ACLK2
SCHEMBL14470746 0.79 CXCR3 (0.56) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14373340 0.77 RAB9A (0.62) CXCR3RAB9ANPC1KMT2AMEN1
SCHEMBL14373341 0.76 CXCR3 (0.67) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14470531 0.76 BRSK1 (0.63) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14373342 0.76 CXCR3 (0.72) CXCR3KMT2ACLK2DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 — — WO disclosed
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