SCHEMBL20145457

SCHEMBL20145457

Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)NCc4cccc(F)c4)c(F)c3)c2)c(C#N)n1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.72

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
SCHEMBL20145438 0.93 MAPK1 (0.74) MAPK1
SCHEMBL20136055 0.86 MAPK1 (0.77) MAPK1
SCHEMBL16679477 0.84 MAPK1 (1.00) MAPK1
SCHEMBL16679479 0.84 MAPK1 (1.00) MAPK1
SCHEMBL20145777 0.82 MAPK1 (0.72) MAPK1
SCHEMBL20145784 0.82 MAPK1 (0.73) MAPK1
SCHEMBL20145663 0.80 MAPK1 (0.70) MAPK1
SCHEMBL20145590 0.80 MAPK1 (0.73) MAPK1
SCHEMBL16679840 0.79 MAPK1 (1.00) MAPK1
SCHEMBL16679838 0.79 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