SCHEMBL20145658

SCHEMBL20145658

C=C(N[C@H](CO)c1ccccc1)c1ccc(-c2nc(-c3ccncc3C)cnc2N)cc1F

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
SCHEMBL16679453 0.91 MAPK1 (1.00) MAPK1
SCHEMBL16679455 0.91 MAPK1 (1.00) MAPK1
SCHEMBL20145654 0.82 MAPK1 (0.85) MAPK1
SCHEMBL16679204 0.79 MAPK1 (1.00) MAPK1
SCHEMBL16679205 0.79 MAPK1 (1.00) MAPK1
SCHEMBL20145655 0.78 MAPK1 (0.72) MAPK1
SCHEMBL19813071 0.78 MAPK1 (1.00) MAPK1
SCHEMBL16680028 0.78 MAPK1 (1.00) MAPK1
SCHEMBL16679800 0.76 MAPK1 (1.00) MAPK1
SCHEMBL16679802 0.76 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