SCHEMBL20145501

SCHEMBL20145501

Nc1ncc(C2CCOCNC2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.84

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
SCHEMBL16679670 0.92 MAPK1 (1.00) MAPK1
SCHEMBL16679671 0.92 MAPK1 (1.00) MAPK1
SCHEMBL16678953 0.87 MAPK1 (1.00) MAPK1
SCHEMBL16678951 0.87 MAPK1 (1.00) MAPK1
SCHEMBL16680455 0.84 MAPK1 (1.00) MAPK1
SCHEMBL16680453 0.84 MAPK1 (1.00) MAPK1
SCHEMBL16679265 0.83 MAPK1 (1.00) MAPK1
SCHEMBL21244169 0.83 MAPK1 (1.00) MAPK1
SCHEMBL16679714 0.83 MAPK1 (1.00) MAPK1
SCHEMBL16680258 0.83 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