SCHEMBL27937985

SCHEMBL27937985

CC(=O)Oc1cc(C2CCCN2)c2oc(N3CCOCC3)cc(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 3/20 0.44
▸ PIK3CB P42338 11/20 0.43
▸ PRKDC P78527 5/20 0.42
▸ PIK3CD O00329 4/20 0.42
▸ PIK3CA P42336 4/20 0.42
▸ PIK3CG P48736 4/20 0.42
▸ MTOR P42345 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SPHK1 Q9NYA1 1/20 0.42
▸ PDE2A O00408 1/20 0.41

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
SCHEMBL27951095 1.00 P2RY12 (0.44) P2RY12PIK3CBPRKDCPIK3CDPIK3CA
SCHEMBL17424923 0.83 PIK3CB (0.49) P2RY12PIK3CBPRKDCPIK3CDPIK3CA
SCHEMBL13276470 0.83 PIK3CB (0.49) P2RY12PIK3CBPRKDCPIK3CDPIK3CA
SCHEMBL13276708 0.83 PIK3CB (0.49) P2RY12PIK3CBPRKDCPIK3CDPIK3CA
SCHEMBL13276778 0.81 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGKCNH2
SCHEMBL13449189 0.81 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGMTOR
SCHEMBL13277055 0.81 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGMTOR
SCHEMBL27951098 0.80 PIK3CB (0.46) PIK3CBPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL27937987 0.80 PIK3CB (0.46) PIK3CBPRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL27889932 0.79 PRKDC (0.55) P2RY12PRKDCPIK3CDPIK3CAMTOR

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
CN-103596948-B Benzopyranone compounds as PI 3-kinase inhibitors for the treatment of cancer ASTRAZENECA AB (SE) 2016-04-27 — — CN disclosed
CN-103596948-A Benzopyranone compounds as PI 3-kinase inhibitors for the treatment of cancer ASTRAZENECA AB 2014-02-19 — — CN disclosed
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