SCHEMBL19736616

SCHEMBL19736616

COCc1nc2ccc(C3=CCOCC3)cn2c1Cc1cccc(C(F)(F)F)c1C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.48
PIK3C2B O00750 13/20 0.48
PIK3CG P48736 9/20 0.48
PIK3CB P42338 9/20 0.46
ENPP2 Q13822 2/20 0.39
MTOR P42345 9/20 0.38
PIK3CA P42336 3/20 0.37

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
SCHEMBL19736883 0.92 PIK3CD (0.51) PIK3CDPIK3C2BPIK3CGPIK3CBENPP2
SCHEMBL19736614 0.91 PIK3CD (0.46) PIK3CDPIK3C2BPIK3CGPIK3CBENPP2
SCHEMBL19736858 0.84 PIK3CD (0.51) PIK3CDPIK3C2BPIK3CGPIK3CBENPP2
SCHEMBL19736881 0.84 PIK3CD (0.46) PIK3CDPIK3C2BPIK3CGPIK3CBENPP2
SCHEMBL21078623 0.83 PIK3CD (0.45) PIK3CDPIK3C2BPIK3CGPIK3CBENPP2
SCHEMBL19737016 0.82 PIK3CD (0.43) PIK3CDPIK3C2BPIK3CGPIK3CBENPP2
SCHEMBL19736868 0.80 PIK3CD (0.48) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736823 0.80 PIK3CD (0.49) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736620 0.78 PIK3CD (0.43) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736618 0.78 PIK3CD (0.44) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR

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