SCHEMBL3390301

SCHEMBL3390301

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cnc(N3CCN(C(=O)C4CC4)CC3)c(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.56
MAPK14 Q16539 6/20 0.56
MAPK12 P53778 2/20 0.54
MAPK11 Q15759 2/20 0.54
PTK2 Q05397 11/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C8 P10632 1/20 0.51
DDR2 Q16832 2/20 0.48
MAPK9 P45984 1/20 0.48

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
SCHEMBL3391100 0.92 MAPK14 (0.58) MAPK13MAPK14MAPK12MAPK11PTK2
SCHEMBL3392559 0.90 MAPK14 (0.58) MAPK13MAPK14MAPK12MAPK11PTK2
SCHEMBL3185639 0.87 MAPK14 (0.55) MAPK13MAPK14MAPK12MAPK11PTK2
Hydrochloric Acid SCHEMBL3170531 0.86 MAPK14 (0.59) MAPK13MAPK14MAPK12MAPK11PTK2
SCHEMBL3390579 0.85 MAPK14 (0.51) MAPK13MAPK14MAPK12MAPK11PTK2
SCHEMBL3388984 0.85 MAPK14 (0.52) MAPK13MAPK14MAPK12MAPK11PTK2
SCHEMBL4602777 0.83 MAPK14 (0.66) MAPK13MAPK14MAPK12MAPK11PTK2
SCHEMBL4604110 0.83 MAPK14 (0.68) MAPK13MAPK14MAPK12MAPK11PTK2
SCHEMBL3390236 0.83 MAPK14 (0.60) MAPK13MAPK14MAPK12MAPK11PTK2
SCHEMBL3392854 0.83 MAPK13 (0.52) MAPK13MAPK14MAPK12MAPK11PTK2

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