SCHEMBL3390169

SCHEMBL3390169

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc2C)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.49
TNF P01375 1/20 0.49
ABL1 P00519 1/20 0.47
PTK2B Q14289 1/20 0.46
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
BRAF P15056 2/20 0.44
DDR2 Q16832 1/20 0.44

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
SCHEMBL3391154 0.97 MAPK14 (0.47) MAPK14TNFABL1PTK2BMAPK13
SCHEMBL27720462 0.91 MAPK14 (0.51) MAPK14TNFPTK2BMAPK13MAPK12
SCHEMBL3393220 0.89 MAPK14 (0.52) MAPK14PTK2BMAPK13MAPK12MAPK11
SCHEMBL3389724 0.89 MAPK14 (0.49) MAPK14TNFPTK2BMAPK13MAPK12
SCHEMBL3389950 0.86 KCNJ6 (0.52) MAPK14TNFBRAF
SCHEMBL27720483 0.84 MAPK14 (0.46) MAPK14TNFPTK2BMAPK13MAPK12
SCHEMBL3392426 0.84 KCNJ6 (0.50) MAPK14TNFBRAF
SCHEMBL3415918 0.84 BRAF (0.47) MAPK14TNFABL1PTK2BMAPK13
SCHEMBL3390975 0.83 MAPK14 (0.52) MAPK14TNFABL1PTK2BMAPK13
SCHEMBL3391158 0.83 GBA1 (0.37) MAPK14TNFBRAF

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-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed
CN-101296922-A Kinase inhibitors LILLY CO ELI (US) 2008-10-29 CN disclosed