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SCHEMBL16892979

SCHEMBL16892979

Cc1cnc(NC(CO)c2ccccc2)nc1-c1c[nH]c(OC(=O)NC(CO)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.58
▸ AURKA O14965 16/20 0.54
▸ CDK2 P24941 15/20 0.54
▸ MAP3K7 O43318 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47

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
SCHEMBL16892983 0.92 AURKA (0.63) MAPK1AURKACDK2MAP3K7FLT3
SCHEMBL16893107 0.91 AURKA (0.63) MAPK1AURKACDK2MAP3K7FLT3
SCHEMBL16893049 0.91 AURKA (0.63) MAPK1AURKACDK2MAP3K7FLT3
SCHEMBL16892981 0.91 MAPK1 (0.51) MAPK1AURKACDK2MAP3K7FLT3
SCHEMBL16893060 0.90 AURKA (0.64) MAPK1AURKACDK2MAP3K7FLT3
SCHEMBL16892991 0.89 MAPK1 (0.49) MAPK1AURKACDK2MAP3K7FLT3
SCHEMBL16893066 0.88 AURKA (0.64) MAPK1AURKACDK2MAP3K7FLT3
SCHEMBL16893144 0.88 AURKA (0.59) MAPK1AURKACDK2MAP3K7FLT3
SCHEMBL16893076 0.88 AURKA (0.55) MAPK1AURKACDK2MAP3K7FLT3
SCHEMBL16893028 0.87 AURKA (0.60) MAPK1AURKACDK2MAP3K7FLT3

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-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP claimed