SCHEMBL12495167

SCHEMBL12495167

C=CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ KCNH2 Q12809 3/20 0.43
▸ MAPKAPK2 P49137 6/20 0.41
▸ PARP10 Q53GL7 3/20 0.40
▸ PARP11 Q9NR21 3/20 0.40
▸ MAP4K4 O95819 3/20 0.38
▸ MINK1 Q8N4C8 2/20 0.38
▸ FYN P06241 2/20 0.38
▸ TNIK Q9UKE5 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ VRK2 Q86Y07 1/20 0.37
▸ RIPK2 O43353 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36

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
SCHEMBL12495502 0.89 MAPK1 (0.50) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12077286 0.85 MAPK1 (0.51) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12495169 0.84 KCNH2 (0.47) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12077934 0.83 MAPK1 (0.54) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12078212 0.82 MAPK1 (0.54) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12077599 0.82 MAPK1 (0.48) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL18936973 0.80 MAPK1 (0.47) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12077346 0.79 MAPK1 (0.51) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12077867 0.79 MAPK1 (0.49) MAPK1KCNH2MAPKAPK2PARP10PARP11
SCHEMBL12496251 0.78 MAPK1 (0.49) MAPK1KCNH2MAPKAPK2PARP10PARP11

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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