SCHEMBL327216

SCHEMBL327216

COc1ncc(N2CCc3ncnc(Oc4cc[nH]c4)c3C2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.57
PIK3CA P42336 20/20 0.57
PIK3CB P42338 2/20 0.55

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
SCHEMBL15721593 0.79 PIK3CD (0.72) PIK3CDPIK3CAPIK3CB
SCHEMBL30767851 0.79 PIK3CD (0.61) PIK3CDPIK3CAPIK3CB
SCHEMBL439992 0.79 PIK3CD (0.61) PIK3CDPIK3CAPIK3CB
SCHEMBL29186337 0.79 PIK3CD (0.61) PIK3CDPIK3CAPIK3CB
SCHEMBL1911788 0.79 PIK3CD (0.61) PIK3CDPIK3CAPIK3CB
SCHEMBL30767849 0.79 PIK3CD (0.61) PIK3CDPIK3CAPIK3CB
SCHEMBL323493 0.77 PIK3CD (0.70) PIK3CDPIK3CAPIK3CB
SCHEMBL323492 0.77 PIK3CD (0.70) PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL323105 0.76 PIK3CD (0.69) PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL323104 0.76 PIK3CD (0.69) PIK3CDPIK3CAPIK3CB

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-2590974-A1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES Novartis AG (CH) 2013-05-15 EP claimed
WO-2012004299-A1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-01-12 WO claimed