SCHEMBL3390218

SCHEMBL3390218

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cnc(OC3CCN(C(=O)c4sccc4C)CC3)c(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.51
DDR2 Q16832 1/20 0.51
PTK2 Q05397 10/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK13 O15264 5/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
CYP2C8 P10632 1/20 0.46
MAPK9 P45984 1/20 0.45
BRAF P15056 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
SCHEMBL3388683 0.91 MAPK14 (0.46) MAPK14DDR2PTK2CYP2D6CYP2C9
SCHEMBL3390223 0.90 MAPK14 (0.52) MAPK14DDR2PTK2CYP2D6CYP2C9
SCHEMBL3392530 0.87 MAPK13 (0.56) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL4603723 0.86 MAPK14 (0.49) MAPK14DDR2PTK2CYP2D6CYP2C9
SCHEMBL3393458 0.86 MAPK14 (0.49) MAPK14DDR2PTK2CYP2D6CYP2C9
SCHEMBL3388798 0.85 MAPK14 (0.48) MAPK14DDR2PTK2CYP2D6CYP2C9
SCHEMBL3390254 0.85 MAPK14 (0.49) MAPK14PTK2CYP2D6CYP2C9MAPK13
SCHEMBL3392665 0.84 MAPK14 (0.54) MAPK14DDR2PTK2CYP2D6CYP2C9
SCHEMBL3422634 0.81 MAPK14 (0.56) MAPK14DDR2PTK2CYP2D6CYP2C9
SCHEMBL3388984 0.81 MAPK14 (0.52) MAPK14DDR2PTK2CYP2D6CYP2C9

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