SCHEMBL20145828

SCHEMBL20145828

CNC[C@@H](NC(=O)c1ccc(-c2nc([C@@H]3CCC[C@@H](P)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.86

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
SCHEMBL16680551 0.92 MAPK1 (1.00) MAPK1
SCHEMBL21244144 0.92 MAPK1 (1.00) MAPK1
SCHEMBL19053650 0.92 MAPK1 (0.87) MAPK1
SCHEMBL16679868 0.92 MAPK1 (1.00) MAPK1
SCHEMBL20145679 0.92 MAPK1 (1.00) MAPK1
SCHEMBL19053355 0.92 MAPK1 (0.88) MAPK1
SCHEMBL16679864 0.88 MAPK1 (1.00) MAPK1
SCHEMBL16679866 0.88 MAPK1 (1.00) MAPK1
Rineterkib SCHEMBL21244156 0.88 MAPK1 (1.00) MAPK1
Rineterkib SCHEMBL21966933 0.88 MAPK1 (1.00) MAPK1

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-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed