SCHEMBL25679258

SCHEMBL25679258

Cc1cc(C(C)C)c2oc(C3CCC(c4ccccc4)CC3)c(C)c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.40
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 1/20 0.38
PIK3CB P42338 4/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CG P48736 2/20 0.36
PRKDC P78527 1/20 0.35
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
LMNA P02545 1/20 0.34
LIPE Q05469 1/20 0.34

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
SCHEMBL25679238 0.85 PIK3CA (0.50) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL25222115 0.82 PIK3CA (0.64) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL31035685 0.81 PIK3CA (0.36) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL31035499 0.81 PIK3CA (0.38) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30889677 0.81 PIK3CA (0.38) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL25679260 0.79 PIK3CA (0.40) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL31516556 0.77 PIK3CA (0.53) PIK3CAAKT1AKT2AKT3
SCHEMBL30373211 0.75 PIK3CA (0.41) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL25185327 0.75 PIK3CA (0.43) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL25184861 0.75 PIK3CA (0.41) PIK3CAAKT1AKT2AKT3PIK3CB

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
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 WO disclosed