SCHEMBL20145529

SCHEMBL20145529

C=C(O)[C@@H](NC(=O)c1ccc(-c2cc(C3CCN(C(=O)OC)CC3)cnc2N)cc1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.78

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
SCHEMBL16679753 0.88 MAPK1 (1.00) MAPK1
SCHEMBL16679754 0.88 MAPK1 (1.00) MAPK1
SCHEMBL20145532 0.82 MAPK1 (0.72) MAPK1
SCHEMBL19822305 0.81 MAPK1 (0.74) MAPK1
SCHEMBL16679181 0.74 MAPK1 (1.00) MAPK1
SCHEMBL16679182 0.74 MAPK1 (1.00) MAPK1
SCHEMBL20136082 0.74 MAPK1 (1.00) MAPK1
SCHEMBL16679727 0.74 MAPK1 (1.00) MAPK1
SCHEMBL16680014 0.72 MAPK1 (1.00) MAPK1
SCHEMBL16680013 0.72 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