SCHEMBL17200083

SCHEMBL17200083

CCc1nc(N[C@H](CN2CCC2)c2ccccc2)c2cccc(OC(N)=O)c2n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 17/20 0.56
AURKB Q96GD4 12/20 0.54
AURKA O14965 3/20 0.54
AKT1 P31749 14/20 0.49
INCENP Q9NQS7 11/20 0.49

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
SCHEMBL17200110 0.93 AKT1 (0.59) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL17200107 0.92 AKT1 (0.49) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL17200074 0.91 AKT1 (0.59) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL17200113 0.89 RPS6KB1 (0.58) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL14983863 0.86 RPS6KB1 (0.72) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL10093514 0.86 RPS6KB1 (0.72) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL17865813 0.85 RPS6KB1 (0.75) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL17200079 0.82 AKT1 (0.60) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL17200070 0.82 AKT1 (0.51) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL10093506 0.81 AKT1 (0.73) RPS6KB1AURKBAURKAAKT1INCENP

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