SCHEMBL20145683

SCHEMBL20145683

CC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(Br)c1

nearest known ligand 0.90

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.90

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
SCHEMBL16679002 0.95 MAPK1 (1.00) MAPK1
SCHEMBL16679001 0.95 MAPK1 (1.00) MAPK1
SCHEMBL16678990 0.94 MAPK1 (1.00) MAPK1
SCHEMBL16678989 0.94 MAPK1 (1.00) MAPK1
SCHEMBL16679172 0.94 MAPK1 (1.00) MAPK1
SCHEMBL16679171 0.94 MAPK1 (1.00) MAPK1
SCHEMBL16679554 0.93 MAPK1 (0.87) MAPK1
SCHEMBL16679556 0.93 MAPK1 (0.87) MAPK1
SCHEMBL20145839 0.92 MAPK1 (0.91) MAPK1
SCHEMBL21244146 0.91 MAPK1 (0.85) 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