SCHEMBL20145524

SCHEMBL20145524

C=C(NCc1cc(C)cc(F)c1)c1ccc(-c2nccnc2N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 19/20 0.42
RPS6KB1 P23443 1/20 0.37

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
SCHEMBL20145554 0.88 MAPK1 (0.54) MAPK1
SCHEMBL20145642 0.77 MAPK1 (0.54) MAPK1
SCHEMBL19982700 0.75 MAPK1 (0.51) MAPK1
SCHEMBL20145570 0.70 MAPK1 (0.69) MAPK1
SCHEMBL16679736 0.70 MAPK1 (0.41) MAPK1
SCHEMBL16681332 0.69 MAPK1 (0.46) MAPK1
SCHEMBL20145542 0.67 MAPK1 (0.64) MAPK1
SCHEMBL16680394 0.65 PIK3CA (0.38) MAPK1
SCHEMBL28188625 0.64 IDO1 (0.46) MAPK1
SCHEMBL28089607 0.61 ADORA1 (0.39) 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