SCHEMBL21029040

SCHEMBL21029040

Cc1ccccc1-n1c(Cn2nc(-c3cccc(C(=O)CN)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 18/20 0.70
▸ PIK3CG P48736 6/20 0.69
▸ PIK3CA P42336 4/20 0.60
▸ PIK3CB P42338 4/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ SRC P12931 1/20 0.60
▸ MTOR P42345 1/20 0.60
▸ PRKDC P78527 1/20 0.60

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
SCHEMBL9884188 0.92 PIK3CD (0.72) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL9884196 0.92 PIK3CD (0.72) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL9884187 0.90 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL954290 0.88 PIK3CD (0.83) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL29903215 0.88 PIK3CD (0.83) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL9924613 0.88 PIK3CG (0.76) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL13781706 0.88 PIK3CG (0.76) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL9883990 0.88 PIK3CG (0.73) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL28052415 0.88 PIK3CG (0.67) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL9884103 0.87 PIK3CD (0.83) PIK3CDPIK3CGPIK3CAPIK3CBABL1

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-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 — — EP disclosed
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