SCHEMBL17200077

SCHEMBL17200077

Cc1nc(N[C@H](CN2CCC2)c2cccc(F)c2)c2cccc(OC(N)=O)c2n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 18/20 0.61
AKT1 P31749 15/20 0.61
AURKB Q96GD4 14/20 0.61
INCENP Q9NQS7 13/20 0.61
AURKA O14965 3/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL17200079 0.92 AKT1 (0.60) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200113 0.91 RPS6KB1 (0.58) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200091 0.90 AKT1 (0.61) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17865809 0.88 RPS6KB1 (0.77) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14983867 0.87 RPS6KB1 (0.76) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200070 0.86 AKT1 (0.51) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200060 0.84 RPS6KB1 (0.64) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200110 0.82 AKT1 (0.59) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200083 0.80 RPS6KB1 (0.56) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200074 0.80 AKT1 (0.59) RPS6KB1AKT1AURKBINCENPAURKA

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-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP claimed