SCHEMBL31387353

SCHEMBL31387353

CN1Cc2cc(Br)ccc2S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
ATM Q13315 1/20 0.39
SRD5A1 P18405 3/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
PIK3CD O00329 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
METAP1 P53582 1/20 0.35
TDP2 O95551 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
HSD17B3 P37058 2/20 0.34
HTR1B P28222 1/20 0.34
CA4 P22748 1/20 0.33
CA7 P43166 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
SCHEMBL2891420 1.00 BRD4 (0.46) BRD4ATMSRD5A1CA1CA2
SCHEMBL18152883 0.86 BRD4 (0.49) BRD4ATMSRD5A1CA1CA2
SCHEMBL6921365 0.80 BRD4 (0.40) BRD4SRD5A1CA1CA2PIK3CD
SCHEMBL12081307 0.79 ESR1 (0.44) BRD4CA1CA2PIK3CDCA12
SCHEMBL19267617 0.79 ATM (0.36) BRD4ATMSRD5A1CA1CA2
SCHEMBL16126562 0.78 ATM (0.44) BRD4ATMCA1CA2HSD17B3
SCHEMBL31643434 0.78 ATM (0.39) BRD4ATMCA1CA2
SCHEMBL16098296 0.78 ATM (0.47) BRD4ATMCA1CA2HSD17B3
SCHEMBL16098659 0.78 ATM (0.39) BRD4ATMCA1CA2
SCHEMBL24247032 0.77 NPSR1 (0.41) BRD4CA1CA2PIK3CDCA12

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
EP-4587438-A1 BICYCLIC COMPOUNDS AS CDK INHIBITORS BeiGene Switzerland GmbH (CH) 2025-07-23 EP disclosed
CN-119894890-A Bicyclic compounds as CDK inhibitors 百济神州(苏州)生物科技有限公司 2025-04-25 CN disclosed
WO-2024255765-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-12-19 WO disclosed