SCHEMBL5733797

SCHEMBL5733797

Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 1.00
MAPK11 Q15759 3/20 0.69
ABL1 P00519 1/20 0.69
ABL2 P42684 1/20 0.69
MAPK8 P45983 1/20 0.69
MAPK13 O15264 2/20 0.68
MAPK12 P53778 2/20 0.68
RAF1 P04049 1/20 0.65
BRAF P15056 1/20 0.65
EPHB2 P29323 1/20 0.65

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
SCHEMBL4298900 0.88 MAPK14 (0.78) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL2616949 0.87 MAPK14 (1.00) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL4472390 0.87 MAPK14 (0.77) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL5743898 0.84 MAPK14 (1.00) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL5733076 0.84 MAPK14 (1.00) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL668606 0.83 MAPK14 (1.00) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL2616952 0.83 MAPK14 (0.80) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL5733215 0.83 MAPK14 (0.72) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL937402 0.82 MAPK14 (1.00) MAPK14MAPK11ABL1ABL2MAPK8
SCHEMBL2083328 0.82 MAPK14 (0.85) MAPK14MAPK11ABL1ABL2MAPK8

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-1056725-B1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-07 EP claimed