SCHEMBL20145839

SCHEMBL20145839

CC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(C)c1

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.91

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
SCHEMBL16679548 0.95 MAPK1 (1.00) MAPK1
SCHEMBL16679550 0.95 MAPK1 (1.00) MAPK1
SCHEMBL20145683 0.92 MAPK1 (0.90) MAPK1
SCHEMBL16679017 0.88 MAPK1 (1.00) MAPK1
SCHEMBL16679016 0.88 MAPK1 (1.00) MAPK1
SCHEMBL16680055 0.87 MAPK1 (1.00) MAPK1
SCHEMBL16680053 0.87 MAPK1 (1.00) MAPK1
SCHEMBL19822346 0.87 MAPK1 (0.84) MAPK1
SCHEMBL16679511 0.86 MAPK1 (1.00) MAPK1
SCHEMBL16679513 0.86 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