SCHEMBL19736618

SCHEMBL19736618

COCc1nc2c(-c3cn([S+]([O-])N(C)C)cn3)cc(C3=CCOCC3)cn2c1Cc1cccc(C(F)(F)F)c1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.44
PIK3C2B O00750 16/20 0.44
PIK3CG P48736 13/20 0.44
PIK3CB P42338 8/20 0.42
MTOR P42345 13/20 0.37
PIK3CA P42336 3/20 0.34

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
SCHEMBL19736620 0.83 PIK3CD (0.43) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736617 0.80 PIK3CD (0.45) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736868 0.79 PIK3CD (0.48) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736878 0.78 PIK3CD (0.49) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736616 0.78 PIK3CD (0.48) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736644 0.76 PIK3CD (0.61) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736880 0.75 PIK3CD (0.60) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL21078709 0.74 PIK3CD (0.44) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736721 0.74 PIK3CD (0.48) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736864 0.73 SUV39H2 (0.37)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3472160-B1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
WO-2017216292-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 WO disclosed