SCHEMBL14470428

SCHEMBL14470428

Bc1ccc(C(=O)Cn2c(=N)n(C)c3c(C(=O)OC)cccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 11/20 0.58
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ BRSK1 Q8TDC3 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL14373336 0.90 RAB9A (0.62) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14373337 0.89 CXCR3 (0.73) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14373338 0.89 CXCR3 (0.72) CXCR3RAB9AKMT2ACLK2DYRK1A
SCHEMBL14470551 0.86 CXCR3 (0.57) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14470564 0.83 CXCR3 (0.78) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14470745 0.82 CXCR3 (0.62) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14373339 0.79 CXCR3 (0.57) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14470696 0.77 CXCR3 (0.63) CXCR3RAB9ANPC1KMT2ABRSK1
SCHEMBL14470561 0.76 RAB9A (0.67) CXCR3RAB9ANPC1KMT2AMAPT
SCHEMBL14373335 0.75 CXCR3 (0.73) 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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