SCHEMBL14470554

SCHEMBL14470554

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

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 12/20 0.77
▸ BRSK1 Q8TDC3 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 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
SCHEMBL14373344 0.88 CXCR3 (0.81) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14470553 0.87 CXCR3 (0.80) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373345 0.87 CXCR3 (0.80) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373346 0.87 CXCR3 (1.00) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14470531 0.84 BRSK1 (0.63) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14470746 0.82 CXCR3 (0.56) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14470749 0.82 CXCR3 (0.53) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373366 0.81 CXCR3 (0.70) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373367 0.80 CXCR3 (0.69) CXCR3BRSK1AURKBCLK2DYRK1A
SCHEMBL14373368 0.80 CXCR3 (0.86) CXCR3BRSK1AURKBCLK2DYRK1A

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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