SCHEMBL25679596

SCHEMBL25679596

Cc1cc(C(C)Nc2ccccc2C(=O)O)c2oc(-c3ccnc(C)c3)c(C)c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 18/20 0.61
▸ AKT1 P31749 1/20 0.59
▸ AKT2 P31751 1/20 0.59
▸ AKT3 Q9Y243 1/20 0.59
▸ PIK3CB P42338 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ PRKDC P78527 1/20 0.53
▸ PIK3C3 Q8NEB9 1/20 0.53

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
SCHEMBL25225809 0.89 PIK3CA (0.57) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL24912749 0.89 PIK3CA (0.68) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30216299 0.89 PIK3CA (0.68) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL24913021 0.89 PIK3CA (0.68) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL24679068 0.88 PIK3CA (0.64) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30090557 0.88 PIK3CA (0.64) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL26997627 0.88 PIK3CA (0.64) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL26997629 0.87 PIK3CA (0.66) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30742572 0.86 PIK3CA (0.63) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30090434 0.86 PIK3CA (0.63) 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
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