SCHEMBL31316408

SCHEMBL31316408

Cc1cc([C@@H](C)N[S@+]([O-])C(C)(C)C)c2oc(-c3ccccc3)c(C)c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.40
▸ PIK3CB P42338 3/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ AKT3 Q9Y243 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PRKDC P78527 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL30063672 1.00 PIK3CA (0.40) PIK3CAPIK3CBPIK3CDPIK3CGAKT1
SCHEMBL29171542 1.00 PIK3CA (0.40) PIK3CAPIK3CBPIK3CDPIK3CGAKT1
SCHEMBL24913143 1.00 PIK3CA (0.40) PIK3CAPIK3CBPIK3CDPIK3CGAKT1
SCHEMBL24913153 1.00 PIK3CA (0.40) PIK3CAPIK3CBPIK3CDPIK3CGAKT1
SCHEMBL26662510 0.90 ALDH1A1 (0.37) PIK3CAPIK3CBPIK3CDPIK3CGAKT1
SCHEMBL30584325 0.90 ALDH1A1 (0.37) PIK3CAPIK3CBPIK3CDPIK3CGAKT1
SCHEMBL26662521 0.90 ALDH1A1 (0.37) PIK3CAPIK3CBPIK3CDPIK3CGAKT1
SCHEMBL31481660 0.88 CSNK2A2 (0.43) PIK3CAAKT1AKT2AKT3ALDH1A1
SCHEMBL26880839 0.81 PIK3CA (0.41) PIK3CAPIK3CBPIK3CDPIK3CGAKT1
SCHEMBL31316385 0.79 ALDH1A1 (0.47) PIK3CAPIK3CBPIK3CDPIK3CGAKT1

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-119301106-A Allosteric benzopyrone inhibitors of phosphoinositide 3-kinase (PI 3K) for the treatment of disease 佩特拉制药公司 2025-01-10 — — CN disclosed
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