SCHEMBL21099894

SCHEMBL21099894

Cc1cc(C(C)Nc2ccccc2)c2oc(N3CCOCC3)cc(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 1.00
▸ PIK3CB P42338 12/20 1.00
▸ PIK3CD O00329 6/20 1.00
▸ PIK3CG P48736 6/20 1.00
▸ PRKDC P78527 2/20 1.00
▸ MTOR P42345 1/20 0.58
▸ PIK3C3 Q8NEB9 1/20 0.58

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
SCHEMBL25736875 1.00 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL23896256 0.92 PIK3CA (0.85) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL25735869 0.92 PIK3CA (0.85) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL23896257 0.92 PIK3CA (0.85) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL23895633 0.90 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL23896129 0.89 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL25179016 0.89 PIK3CB (0.80) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL30081718 0.89 PIK3CB (0.80) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL23895845 0.89 PIK3CB (0.80) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL23896128 0.89 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC

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-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 — — EP disclosed
Send feedback