SCHEMBL30935219

SCHEMBL30935219

C=CC(=O)Nc1cccc(-c2cc(-c3ccc4c(c3)CCNC4=O)n(C)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 6/20 0.52
▸ PARP11 Q9NR21 6/20 0.52
▸ TDP2 O95551 2/20 0.47
▸ BTK Q06187 1/20 0.46
▸ ITK Q08881 1/20 0.46
▸ MAPKAPK2 P49137 2/20 0.44
▸ JAK3 P52333 3/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ GSK3B P49841 3/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ PRMT8 Q9NR22 1/20 0.41

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
SCHEMBL30935140 0.78 MAPKAPK2 (0.53) PARP10PARP11TDP2BTKITK
SCHEMBL30935043 0.78 PARP10 (0.45) PARP10PARP11TDP2BTKITK
SCHEMBL30935080 0.77 MAPKAPK2 (0.55) PARP10PARP11TDP2BTKITK
SCHEMBL30934991 0.77 MAPKAPK2 (0.66) PARP10PARP11TDP2BTKITK
SCHEMBL30935237 0.77 MAPKAPK2 (0.52) PARP10PARP11TDP2BTKITK
SCHEMBL30935410 0.77 MAPKAPK2 (0.52) PARP10PARP11TDP2BTKITK
SCHEMBL30935284 0.76 MAPKAPK2 (0.46) PARP10PARP11TDP2BTKMAPKAPK2
SCHEMBL30935233 0.76 MAPKAPK2 (0.51) PARP10PARP11TDP2BTKITK
SCHEMBL30935149 0.76 MAPKAPK2 (0.47) PARP10PARP11TDP2BTKITK
SCHEMBL30935156 0.75 TGM2 (0.53) BTKITKJAK3JAK2JAK1

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
WO-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 — — WO disclosed
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