SCHEMBL20145781

SCHEMBL20145781

Cc1cnc(N)c(-c2ccc(C(=O)OC(C)(C)C)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 17/20 0.46
NEK2 P51955 2/20 0.41
PIK3CD O00329 1/20 0.40
HTR1A P08908 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CSNK1G3 Q9Y6M4 1/20 0.40

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
SCHEMBL16679329 0.88 MAPK1 (0.43) MAPK1NEK2
SCHEMBL28256472 0.86 NEK2 (0.44) MAPK1NEK2
SCHEMBL16679356 0.85 MAPK1 (0.42) MAPK1NEK2PIK3CA
SCHEMBL16680394 0.83 PIK3CA (0.38) MAPK1PIK3CA
SCHEMBL21264417 0.83 MAPK1 (0.51) MAPK1NEK2
SCHEMBL16690899 0.82 MAPK1 (0.61) MAPK1
SCHEMBL16679119 0.82 MAPK1 (0.61) MAPK1
SCHEMBL16680152 0.82 MAPK1 (0.74) MAPK1
SCHEMBL16679631 0.82 MAPK1 (0.46) MAPK1NEK2PIK3CDHTR1APIK3R1
SCHEMBL16679278 0.82 MAPK1 (0.57) 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