SCHEMBL20145629

SCHEMBL20145629

CN1C[C@@H](NC(=O)c2ccc(-c3cc(-c4cnn(C)c4)cnc3N)cc2F)[C@](S)(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.66

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
SCHEMBL16690831 0.91 MAPK1 (0.67) MAPK1
SCHEMBL16690762 0.85 MAPK1 (0.67) MAPK1
SCHEMBL16679200 0.79 MAPK1 (1.00) MAPK1
SCHEMBL16679243 0.79 MAPK1 (1.00) MAPK1
SCHEMBL16684509 0.79 MAPK1 (1.00) MAPK1
SCHEMBL19053705 0.76 MAPK1 (0.66) MAPK1
SCHEMBL16680037 0.75 MAPK1 (1.00) MAPK1
SCHEMBL16690761 0.75 MAPK1 (1.00) MAPK1
SCHEMBL16681202 0.75 MAPK1 (1.00) MAPK1
SCHEMBL20145461 0.75 MAPK1 (0.72) 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