SCHEMBL14470436

SCHEMBL14470436

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

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 19/20 0.70
▸ CLK2 P49760 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CLK4 Q9HAZ1 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
SCHEMBL14373409 0.92 CXCR3 (0.81) CXCR3CLK2DYRK1ACLK4
SCHEMBL14373414 0.91 CXCR3 (0.79) CXCR3
SCHEMBL14373410 0.91 CXCR3 (0.70) CXCR3
SCHEMBL14470687 0.90 CXCR3 (0.86) CXCR3
SCHEMBL14470434 0.88 CXCR3 (0.87) CXCR3
SCHEMBL14373845 0.85 CXCR3 (0.94) CXCR3CLK2DYRK1ACLK4
SCHEMBL14373407 0.83 CXCR3 (0.93) CXCR3
SCHEMBL14373442 0.83 CXCR3 (0.79) CXCR3CLK2DYRK1ACLK4
SCHEMBL14373415 0.83 CXCR3 (0.65) CXCR3
SCHEMBL14470538 0.83 CXCR3 (0.61) CXCR3CLK2DYRK1ACLK4

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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