SCHEMBL12496286

SCHEMBL12496286

Cc1cc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)ccc1S(=O)(=O)N(C)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ MAPKAPK2 P49137 6/20 0.43
▸ PARP10 Q53GL7 7/20 0.41
▸ PARP11 Q9NR21 7/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ PRF1 P14222 1/20 0.39
▸ ALOX5AP P20292 4/20 0.39
▸ FEN1 P39748 4/20 0.39
▸ MAPK9 P45984 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
SCHEMBL18112920 0.89 MAPK1 (0.51) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL12077934 0.89 MAPK1 (0.54) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL12078235 0.88 MAPK1 (0.53) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL18113049 0.85 MAPK1 (0.50) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL12077231 0.84 MAPK1 (0.51) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL18113043 0.84 MAPK1 (0.49) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL12496245 0.83 MAPK1 (0.48) MAPK1MAPKAPK2GSK3BALOX5APFEN1
SCHEMBL18113014 0.83 MAPK1 (0.48) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL18112894 0.82 MAPK1 (0.47) MAPK1MAPKAPK2PARP10PARP11GSK3B
SCHEMBL18112896 0.80 MAPK1 (0.47) MAPK1MAPKAPK2PARP10PARP11GSK3B

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 4 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
WO-2012100734-A1 COMPOUNDS USEFUL AS RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS GLAXO GROUP LIMITED (GB) 2012-08-02 — — WO disclosed
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