SCHEMBL15899996

SCHEMBL15899996

C[C@H](Nc1ncnc2cccnc12)c1cc2cc(Cl)ccc2nc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
PIK3R2 O00459 1/20 0.39
IDH1 O75874 5/20 0.39
GPR6 P46095 8/20 0.38
EGFR P00533 1/20 0.37
AKT1 P31749 2/20 0.36
HTT P42858 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36

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
SCHEMBL15899979 0.88 PIK3CD (0.42) PIK3CDPIK3R2IDH1GPR6HTT
SCHEMBL14480944 0.88 PIK3CD (0.44) PIK3CDPIK3R2EGFRAKT1AKT2
SCHEMBL15899988 0.87 PIK3CD (0.43) PIK3CDPIK3R2IDH1AKT1AKT2
SCHEMBL15899858 0.86 PIK3CD (0.38) PIK3CDPIK3R2GPR6EGFRAKT1
SCHEMBL14480959 0.85 PIK3CD (0.37) PIK3CDPIK3R2GPR6EGFRAKT1
SCHEMBL15899990 0.84 PIK3CD (0.42) PIK3CDPIK3R2IDH1GPR6
SCHEMBL15899986 0.84 PIK3CD (0.46) PIK3CDPIK3R2IDH1GPR6
SCHEMBL15899829 0.84 PIK3CD (0.41) PIK3CDPIK3R2IDH1
SCHEMBL15899998 0.81 PIK3CD (0.41) PIK3CDPIK3R2IDH1
SCHEMBL14480865 0.81 PIK3CD (0.45) PIK3CDPIK3R2GPR6

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-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 EP claimed