SCHEMBL5114424

SCHEMBL5114424

CNc1nccc(Oc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NCCN5CCOCC5)c4OC)n(C)c23)n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 0.55
SRC P12931 9/20 0.55
SYK P43405 9/20 0.55
MAPK14 Q16539 9/20 0.55

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
SCHEMBL5118183 0.92 GSK3A (0.63) GSK3ASRCSYKMAPK14
SCHEMBL14276139 0.91 GSK3A (0.59) GSK3ASRCSYKMAPK14
SCHEMBL14276158 0.90 GSK3A (0.49) GSK3ASRCSYKMAPK14
SCHEMBL14276142 0.85 GSK3A (0.53) GSK3ASRCSYKMAPK14
SCHEMBL5682445 0.84 GSK3A (0.50) GSK3ASRCSYKMAPK14
SCHEMBL14276151 0.84 GSK3A (0.50) GSK3ASRCSYKMAPK14
SCHEMBL14276232 0.84 GSK3A (0.47) GSK3ASRCSYKMAPK14
SCHEMBL5115049 0.84 GSK3A (0.45) GSK3ASRCSYKMAPK14
SCHEMBL14276161 0.84 GSK3A (0.49) GSK3ASRCSYKMAPK14
SCHEMBL5685275 0.84 MAPK14 (0.54) GSK3ASRCSYKMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed