SCHEMBL17200074

SCHEMBL17200074

CCc1nc(N[C@H](CN2CCC2)c2cccc(Cl)c2)c2cccc(OC(N)=O)c2n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.59
RPS6KB1 P23443 15/20 0.59
AURKB Q96GD4 12/20 0.59
INCENP Q9NQS7 11/20 0.59
AURKA O14965 4/20 0.44
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42

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
SCHEMBL17200107 0.92 AKT1 (0.49) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL17200083 0.91 RPS6KB1 (0.56) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL17200091 0.90 AKT1 (0.61) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL17200110 0.88 AKT1 (0.59) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL10093519 0.88 RPS6KB1 (0.74) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL17865823 0.87 AKT1 (0.77) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL17200075 0.85 AKT1 (0.62) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL17200070 0.82 AKT1 (0.51) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL17200113 0.81 RPS6KB1 (0.58) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL17200077 0.80 RPS6KB1 (0.61) AKT1RPS6KB1AURKBINCENPAURKA

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