SCHEMBL30935233

SCHEMBL30935233

C=CC(=O)Nc1cccc(-n2cc(-c3ccc4c(c3)CCNC4=O)c(N(C)C)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 8/20 0.51
▸ MAPK9 P45984 1/20 0.46
▸ PARP10 Q53GL7 5/20 0.43
▸ PARP11 Q9NR21 5/20 0.43
▸ TDP2 O95551 2/20 0.40
▸ BTK Q06187 2/20 0.40
▸ ITK Q08881 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ CARM1 Q86X55 2/20 0.38
▸ PRMT6 Q96LA8 2/20 0.38
▸ PRMT1 Q99873 2/20 0.38
▸ PRMT8 Q9NR22 2/20 0.38
▸ PRMT3 O60678 1/20 0.37

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 0.89 MAPKAPK2 (0.53) MAPKAPK2MAPK9PARP10PARP11TDP2
SCHEMBL30935080 0.88 MAPKAPK2 (0.55) MAPKAPK2MAPK9PARP10PARP11TDP2
SCHEMBL30934991 0.88 MAPKAPK2 (0.66) MAPKAPK2MAPK9PARP10PARP11TDP2
SCHEMBL30935237 0.88 MAPKAPK2 (0.52) MAPKAPK2MAPK9PARP10PARP11TDP2
SCHEMBL30935410 0.88 MAPKAPK2 (0.52) MAPKAPK2MAPK9PARP10PARP11TDP2
SCHEMBL30935065 0.87 MAPKAPK2 (0.54) MAPKAPK2MAPK9PARP10PARP11TDP2
SCHEMBL30935061 0.87 MAPKAPK2 (0.51) MAPKAPK2MAPK9PARP10PARP11TDP2
SCHEMBL30935281 0.86 MAPKAPK2 (0.53) MAPKAPK2MAPK9PARP10PARP11TDP2
SCHEMBL30935370 0.85 MAPKAPK2 (0.52) MAPKAPK2MAPK9PARP10PARP11TDP2
SCHEMBL30935292 0.85 MAPKAPK2 (0.50) MAPKAPK2MAPK9PARP10PARP11TDP2

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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