SCHEMBL20145480

SCHEMBL20145480

N=C(NCc1cc(F)cc(I)c1)c1ccc(-c2nc(C3CC[C@@H](O)[C@@H](O)C3)cnc2N)cc1F

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.65

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
SCHEMBL20145854 0.81 MAPK1 (0.79) MAPK1
SCHEMBL21244175 0.79 MAPK1 (1.00) MAPK1
SCHEMBL16681169 0.79 MAPK1 (1.00) MAPK1
SCHEMBL16679988 0.79 MAPK1 (1.00) MAPK1
SCHEMBL16679624 0.79 MAPK1 (1.00) MAPK1
SCHEMBL20145500 0.79 MAPK1 (1.00) MAPK1
SCHEMBL16679524 0.79 MAPK1 (1.00) MAPK1
SCHEMBL21244148 0.79 MAPK1 (1.00) MAPK1
SCHEMBL21244162 0.79 MAPK1 (1.00) MAPK1
SCHEMBL20145519 0.75 MAPK1 (0.74) 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