SCHEMBL20145477

SCHEMBL20145477

Nc1ncc([C@@H]2CC[C@@H](O)C(F)(F)C2)nc1-c1ccc(C(=O)NCc2cc(F)cc(Br)c2)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.73

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
SCHEMBL20145675 1.00 MAPK1 (0.73) MAPK1
SCHEMBL20145519 0.86 MAPK1 (0.74) MAPK1
SCHEMBL20145481 0.85 MAPK1 (0.79) MAPK1
SCHEMBL16679345 0.85 MAPK1 (1.00) MAPK1
SCHEMBL21244142 0.85 MAPK1 (1.00) MAPK1
SCHEMBL21244141 0.85 MAPK1 (1.00) MAPK1
SCHEMBL16680609 0.85 MAPK1 (1.00) MAPK1
SCHEMBL20145793 0.85 MAPK1 (1.00) MAPK1
SCHEMBL20145521 0.83 MAPK1 (0.67) MAPK1
SCHEMBL16690770 0.82 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