SCHEMBL14470538

SCHEMBL14470538

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 17/20 0.61
▸ CLK2 P49760 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ BRSK1 Q8TDC3 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46

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
SCHEMBL14373645 0.91 CXCR3 (0.74) CXCR3CLK2DYRK1ACLK4MEN1
SCHEMBL14373639 0.90 CXCR3 (0.64) CXCR3MEN1KMT2A
SCHEMBL14373649 0.89 CXCR3 (0.61) CXCR3CLK2DYRK1ACLK4KMT2A
SCHEMBL14470436 0.83 CXCR3 (0.70) CXCR3CLK2DYRK1ACLK4
SCHEMBL14470688 0.81 CXCR3 (0.86) CXCR3
SCHEMBL14470687 0.81 CXCR3 (0.86) CXCR3
SCHEMBL5456451 0.81 CXCR3 (0.77) CXCR3CLK2DYRK1ACLK4MEN1
SCHEMBL14470441 0.80 CXCR3 (0.65) CXCR3CLK2DYRK1ACLK4MEN1
SCHEMBL14373646 0.80 CXCR3 (0.56) CXCR3CLK2DYRK1ACLK4
SCHEMBL14470434 0.79 CXCR3 (0.87) CXCR3

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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