SCHEMBL20145837

SCHEMBL20145837

CC[C@@H](NC(=O)c1ccc(-c2cc(-c3cnn(C)c3)cnc2N)cc1F)c1cc(F)cc(Cl)c1

nearest known ligand 0.92

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.92

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
SCHEMBL16681011 0.96 MAPK1 (1.00) MAPK1
SCHEMBL16681014 0.96 MAPK1 (1.00) MAPK1
SCHEMBL16679311 0.88 MAPK1 (1.00) MAPK1
SCHEMBL16679313 0.88 MAPK1 (1.00) MAPK1
SCHEMBL16680096 0.87 MAPK1 (1.00) MAPK1
SCHEMBL16680097 0.87 MAPK1 (1.00) MAPK1
SCHEMBL16680261 0.86 MAPK1 (1.00) MAPK1
SCHEMBL16680264 0.86 MAPK1 (1.00) MAPK1
SCHEMBL16680072 0.86 MAPK1 (1.00) MAPK1
SCHEMBL16680075 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