SCHEMBL28545287

SCHEMBL28545287

Nc1ncnc2c1c(-c1ccc(O)cc1)nn2Cc1nc2cccc(C#CCCCC(N)C3CCCC3)c2c(=O)n1Cc1ccccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 20/20 0.77
▸ PIK3CG P48736 16/20 0.77
▸ PIK3R1 P27986 7/20 0.77
▸ PIK3CA P42336 7/20 0.62
▸ PIK3CB P42338 6/20 0.62
▸ ABL1 P00519 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PRKDC P78527 1/20 0.42

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
SCHEMBL8873 0.91 PIK3CD (0.78) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL14749 0.90 PIK3CD (0.83) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL31655821 0.89 PIK3CD (0.87) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL9212 0.89 PIK3CD (0.87) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL14694 0.89 PIK3CD (0.76) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL31655782 0.89 PIK3CD (0.76) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL9343 0.89 PIK3CD (0.86) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL9272 0.87 PIK3CD (1.00) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL31655838 0.87 PIK3CD (1.00) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL28547783 0.87 PIK3CD (0.83) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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
CN-112516179-A Dosing regimens and formulations for adenovirus type B 普赛奥克苏斯治疗公司 2021-03-19 — — CN disclosed
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