SCHEMBL3392665

SCHEMBL3392665

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cnc(N3CCN(C(=O)c4sccc4C)CC3)c(C)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.54
DDR2 Q16832 1/20 0.54
MAPK13 O15264 4/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
PTK2 Q05397 12/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C8 P10632 1/20 0.47
MAPK9 P45984 1/20 0.46

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
SCHEMBL3388984 0.93 MAPK14 (0.52) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3422634 0.89 MAPK14 (0.56) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3392860 0.86 MAPK14 (0.60) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3391100 0.85 MAPK14 (0.58) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3388947 0.85 KCNJ6 (0.50) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3180282 0.85 MAPK14 (0.55) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3390218 0.84 MAPK14 (0.51) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3174332 0.84 MAPK14 (0.63) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3392515 0.83 MAPK14 (0.56) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3390223 0.81 MAPK14 (0.52) MAPK14DDR2MAPK13MAPK12MAPK11

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
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed