SCHEMBL527677

SCHEMBL527677

CNC[C@@H](Nc1nc(C(F)(F)F)nc2c(C(N)=O)cccc12)c1cccc(F)c1.CNC[C@@H](Nc1nc(C)nc2c(C(N)=O)cccc12)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 0.87
AKT1 P31749 7/20 0.87
AURKB Q96GD4 6/20 0.82
INCENP Q9NQS7 6/20 0.82
AURKA O14965 12/20 0.64
CYP2C9 P11712 1/20 0.64

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
SCHEMBL14974986 0.93 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093525 0.91 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14974658 0.86 RPS6KB1 (0.80) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14974401 0.84 RPS6KB1 (0.82) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093526 0.84 RPS6KB1 (0.82) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14974912 0.83 RPS6KB1 (0.72) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093510 0.81 RPS6KB1 (0.72) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093520 0.81 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL526765 0.81 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL527690 0.80 RPS6KB1 (0.79) 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 3 patents. 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
EP-2598492-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K Merck Patent GmbH (DE) 2013-06-05 EP claimed
WO-2012013282-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2012-02-02 WO claimed