SCHEMBL14470531

SCHEMBL14470531

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRSK1 Q8TDC3 1/20 0.63
▸ AURKB Q96GD4 1/20 0.63
▸ CLK2 P49760 1/20 0.63
▸ DYRK1A Q13627 1/20 0.63
▸ CLK4 Q9HAZ1 1/20 0.63
▸ CXCR3 P49682 9/20 0.60
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14373589 0.87 CLK2 (0.83) BRSK1AURKBCLK2DYRK1ACLK4
SCHEMBL14373591 0.87 BRSK1 (0.83) BRSK1AURKBCLK2DYRK1ACLK4
SCHEMBL14470554 0.84 CXCR3 (0.77) BRSK1AURKBCLK2DYRK1ACLK4
SCHEMBL14470557 0.80 BRSK1 (0.63) BRSK1AURKBCLK2DYRK1ACLK4
SCHEMBL14373593 0.80 CLK2 (0.80) BRSK1AURKBCLK2DYRK1ACLK4
SCHEMBL14373594 0.80 BRSK1 (0.80) BRSK1AURKBCLK2DYRK1ACLK4
SCHEMBL14373595 0.79 CLK2 (0.81) BRSK1AURKBCLK2DYRK1ACLK4
SCHEMBL14373596 0.79 BRSK1 (0.81) BRSK1AURKBCLK2DYRK1ACLK4
SCHEMBL14373584 0.77 CLK2 (1.00) BRSK1AURKBCLK2DYRK1ACLK4
SCHEMBL14373586 0.77 BRSK1 (1.00) BRSK1AURKBCLK2DYRK1ACLK4

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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