SCHEMBL27720462

SCHEMBL27720462

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nc2C)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.51
MAPK12 P53778 5/20 0.51
MAPK13 O15264 4/20 0.51
MAPK11 Q15759 4/20 0.51
TNF P01375 1/20 0.49
BRAF P15056 10/20 0.49
PTK2B Q14289 1/20 0.46
DDR2 Q16832 1/20 0.44
GBA1 P04062 1/20 0.42

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
SCHEMBL3389724 0.97 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11TNF
SCHEMBL3390169 0.91 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11TNF
SCHEMBL3415918 0.90 BRAF (0.47) MAPK14MAPK12MAPK13MAPK11TNF
SCHEMBL3393244 0.89 MAPK14 (0.58) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3391154 0.89 MAPK14 (0.47) MAPK14MAPK12MAPK13MAPK11TNF
SCHEMBL3391094 0.87 KCNJ6 (0.47) MAPK14MAPK12MAPK13MAPK11TNF
SCHEMBL3390667 0.85 KCNJ6 (0.45) MAPK14MAPK12MAPK13MAPK11TNF
SCHEMBL27720483 0.84 MAPK14 (0.46) MAPK14MAPK12MAPK13MAPK11TNF
SCHEMBL3422287 0.84 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11BRAF
SCHEMBL3170571 0.84 MAPK14 (0.60) MAPK14MAPK12MAPK13MAPK11BRAF

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
CN-101296922-A Kinase inhibitors LILLY CO ELI (US) 2008-10-29 CN disclosed