SCHEMBL4969459

SCHEMBL4969459

CC(C)(C)c1cccc(-c2nc(C3CCN(C(=O)Cn4cnc5cccnc54)CC3)sc2Br)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 0.48
KCNH2 Q12809 5/20 0.45

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
SCHEMBL4311077 0.86 CXCR3 (0.48) CXCR3KCNH2
SCHEMBL4310817 0.85 CXCR3 (0.49) CXCR3KCNH2
SCHEMBL4316057 0.84 CXCR3 (0.46) CXCR3KCNH2
SCHEMBL4969744 0.82 CXCR3 (0.48) CXCR3KCNH2
SCHEMBL4318193 0.81 CXCR3 (0.46) CXCR3KCNH2
SCHEMBL4307775 0.80 CXCR3 (0.49) CXCR3KCNH2
SCHEMBL4982922 0.79 CXCR3 (0.48) CXCR3KCNH2
SCHEMBL4309879 0.79 CXCR3 (0.44) CXCR3KCNH2
SCHEMBL4315529 0.79 CXCR3 (0.44) CXCR3KCNH2
SCHEMBL4309881 0.78 CXCR3 (0.47) CXCR3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957076-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-08-20 EP claimed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 WO claimed