SCHEMBL29826476

SCHEMBL29826476

CCSc1cc(=O)c2cc(C(=O)OC)cc(C(C)O)c2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PIK3CD O00329 3/20 0.33

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
SCHEMBL24714348 1.00 KDM4E (0.35) KDM4EALDH1A1ALOX15HSD17B10TSHR
SCHEMBL24713633 0.92 TNKS (0.36) KDM4EALDH1A1ALOX15HSD17B10TSHR
SCHEMBL12666555 0.90 KDM4E (0.35) KDM4EALDH1A1ALOX15HSD17B10TSHR
SCHEMBL30768042 0.89 KDM4E (0.34) KDM4EALDH1A1ALOX15HSD17B10TSHR
SCHEMBL1639065 0.82 PIK3CB (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1637326 0.82 CSNK2A2 (0.37) KDM4EALDH1A1ALOX15HSD17B10TSHR
SCHEMBL23887051 0.82 PIK3CA (0.39) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL30064040 0.82 PIK3CA (0.39) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL24713822 0.81 KDM4E (0.35) KDM4EALDH1A1ALOX15HSD17B10TSHR
SCHEMBL23886969 0.81 CCNE2 (0.35) CCNE2CDK1CDK4CCNB1CCND1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117615763-A Phosphoinositide 3 kinase beta inhibitor, composition and preparation method thereof 健道生物医药有限公司 2024-02-27 — — CN disclosed
EP-4284375-A1 PHOSPHOINOSITIDE 3 KINASE BETA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Geode Therapeutics Inc. (US) 2023-12-06 — — EP disclosed
WO-2022164812-A1 PHOSPHOINOSITIDE 3 KINASE BETA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2022-08-04 — — WO disclosed
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