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Sugi Predict / Compounds / SCHEMBL4138491

SCHEMBL4138491

SCHEMBL4138491

Cc1c(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)nc(Nc2ccccc2C(=O)O)c(=O)n1C.Cn1cc(-c2cccc(N(C(=O)c3ccccc3)C(C)(C)C)c2F)nc(Nc2ccc(-c3nnn[nH]3)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.40
▸ SYK P43405 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL4135526 0.90 BTK (0.50) BTK
SCHEMBL1070784 0.78 BTK (0.56) BTK
SCHEMBL1069326 0.75 BTK (0.66) BTK
SCHEMBL1068453 0.71 SYK (0.57) BTKSYKNR1H4
SCHEMBL4002930 0.69 BTK (0.53) BTK
SCHEMBL12637670 0.67 BTK (0.75) BTK
SCHEMBL1070541 0.67 BTK (0.59) BTKSYK
SCHEMBL4158871 0.67 BTK (0.52) BTK
SCHEMBL27737928 0.66 BTK (0.42) BTK
SCHEMBL1067583 0.66 BTK (0.66) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2068849-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 — — EP disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 — — WO disclosed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 — — EP disclosed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 — — WO disclosed