SCHEMBL19736833

SCHEMBL19736833

Cc1nc2c(-c3cn(SN(C)C)cn3)nc(C3=CCOCC3)cn2c1Cc1cccc(C(F)(F)F)c1C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.55
PIK3C2B O00750 15/20 0.55
PIK3CG P48736 11/20 0.55
PIK3CB P42338 12/20 0.45
MTOR P42345 12/20 0.44
PIK3CA P42336 6/20 0.44

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
SCHEMBL19736831 0.86 PIK3CD (0.58) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736746 0.83 PIK3CD (0.57) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736968 0.80 PIK3CD (0.57) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736625 0.79 PIK3CD (0.61) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736623 0.78 PIK3CD (0.69) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736718 0.77 PIK3CD (0.63) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736913 0.76 PIK3CD (0.61) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736873 0.76 PIK3CD (0.60) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736933 0.76 PIK3CD (0.53) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL17857196 0.71 PIK3CD (1.00) 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