SCHEMBL3103733

SCHEMBL3103733

CC(c1nc2ncccc2c(=O)n1-c1ccc(C#N)cc1)N(Cc1cccnc1)C(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 0.84
CYP3A4 P08684 2/20 0.72

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
SCHEMBL13151350 1.00 CXCR3 (0.84) CXCR3CYP3A4
SCHEMBL27015149 0.91 CXCR3 (0.87) CXCR3CYP3A4
SCHEMBL3097262 0.90 CXCR3 (0.84) CXCR3CYP3A4
SCHEMBL13151363 0.90 CXCR3 (0.77) CXCR3CYP3A4
SCHEMBL3097273 0.90 CXCR3 (0.84) CXCR3CYP3A4
SCHEMBL13151352 0.89 CXCR3 (0.68) CXCR3CYP3A4
SCHEMBL13151349 0.88 CXCR3 (0.66) CXCR3CYP3A4
SCHEMBL3097340 0.88 CXCR3 (0.66) CXCR3CYP3A4
SCHEMBL3098066 0.88 CXCR3 (0.66) CXCR3CYP3A4
SCHEMBL10087500 0.85 CXCR3 (0.97) 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
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US claimed