SCHEMBL30940294

SCHEMBL30940294

Cc1cc(C(C)Br)c2oc3c(c(=O)c2c1)CCc1cc(F)ccc1-3

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.37
▸ PIK3CB P42338 2/20 0.35
▸ SRD5A1 P18405 2/20 0.32
▸ CDK2 P24941 3/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ DHODH Q02127 1/20 0.30

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
SCHEMBL30940290 0.90 PIK3CA (0.39) PIK3CAPIK3CBSRD5A1CDK2DHODH
SCHEMBL30940300 0.85 SRD5A1 (0.34) PIK3CASRD5A1CDK2DHODH
SCHEMBL30940312 0.80 DHODH (0.34) PIK3CASRD5A1CDK2DHODH
SCHEMBL30940286 0.79 PIK3CA (0.65) PIK3CAPIK3CB
SCHEMBL30940295 0.78 PIK3CA (0.39) PIK3CADHODH
SCHEMBL31144994 0.76 PIK3CA (0.63) PIK3CAPIK3CB
SCHEMBL31145034 0.76 PIK3CA (0.63) PIK3CAPIK3CB
SCHEMBL23887063 0.69 PIK3CA (0.64) PIK3CAPIK3CB
SCHEMBL26884309 0.68 PIK3CA (0.39) PIK3CAPIK3CBCDK2KCNH2
SCHEMBL27135225 0.68 PIK3CA (0.39) PIK3CAPIK3CBCDK2KCNH2

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-118359631-A Polycyclic PI3K alpha inhibitors 轩竹生物科技股份有限公司 2024-07-19 — — CN disclosed
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