SCHEMBL24713822

SCHEMBL24713822

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 9/20 0.35
▸ ALDH1A1 P00352 7/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ TNKS O95271 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ BCL2L1 Q07817 1/20 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
SCHEMBL1637326 0.84 CSNK2A2 (0.37) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL23887406 0.82 CCNE2 (0.36) KDM4EALDH1A1HSD17B10MAPTCCNE2
SCHEMBL24713633 0.82 TNKS (0.36) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL30564466 0.81 MAOB (0.38) ALDH1A1TSHRCCNE2CDK1CDK4
SCHEMBL23887031 0.81 GPR35 (0.37) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL29826476 0.81 KDM4E (0.35) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL24714348 0.81 KDM4E (0.35) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL12666555 0.80 KDM4E (0.35) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL30768042 0.79 KDM4E (0.34) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL30564425 0.79 CCNE2 (0.34) HPGDMEN1KMT2AMAPTCCNE2

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 4 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
WO-2022164812-A1 PHOSPHOINOSITIDE 3 KINASE BETA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2022-08-04 — — WO disclosed
Send feedback