SCHEMBL12495495

SCHEMBL12495495

CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ PRF1 P14222 4/20 0.44
▸ MAPKAPK2 P49137 5/20 0.39
▸ PARP10 Q53GL7 6/20 0.37
▸ PARP11 Q9NR21 6/20 0.37
▸ FYN P06241 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL12078178 0.85 PRF1 (0.48) MAPK1PRF1MAPKAPK2PARP10PARP11
SCHEMBL12495502 0.85 MAPK1 (0.50) MAPK1MAPKAPK2PARP10PARP11FYN
SCHEMBL12077599 0.83 MAPK1 (0.48) MAPK1PRF1MAPKAPK2PARP10PARP11
SCHEMBL12077565 0.82 MAPK1 (0.47) MAPK1PRF1MAPKAPK2PARP10PARP11
SCHEMBL12495946 0.82 MAPK1 (0.56) MAPK1PRF1MAPKAPK2PARP10PARP11
SCHEMBL12077286 0.79 MAPK1 (0.51) MAPK1MAPKAPK2PARP10PARP11FYN
SCHEMBL18936973 0.76 MAPK1 (0.47) MAPK1PRF1MAPKAPK2PARP10PARP11
SCHEMBL12078212 0.76 MAPK1 (0.54) MAPK1MAPKAPK2PARP10PARP11FYN
SCHEMBL12495167 0.75 MAPK1 (0.47) MAPK1MAPKAPK2PARP10PARP11FYN
SCHEMBL12090623 0.75 KCNH2 (0.43) MAPK1PRF1FYNRIPK2NOD2

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-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 — — EP disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 — — WO disclosed
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