SCHEMBL12495618

SCHEMBL12495618

Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ PRF1 P14222 2/20 0.50
▸ FEN1 P39748 15/20 0.49
▸ ALOX5AP P20292 14/20 0.49
▸ KCNH2 Q12809 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ PARP11 Q9NR21 1/20 0.44

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
SCHEMBL12495172 0.90 MAPK1 (0.51) MAPK1PRF1FEN1ALOX5APKCNH2
SCHEMBL12078765 0.87 KCNH2 (0.59) MAPK1KCNH2PARP10PARP11
SCHEMBL18123071 0.86 MAPK1 (0.51) MAPK1PRF1FEN1ALOX5APKCNH2
SCHEMBL18112912 0.85 MAPK1 (0.52) MAPK1KCNH2PARP10PARP11
SCHEMBL12496057 0.84 MAPK1 (0.51) MAPK1PRF1FEN1ALOX5APKCNH2
SCHEMBL12495639 0.83 KCNH2 (0.55) MAPK1FEN1KCNH2PARP10PARP11
SCHEMBL12495977 0.82 MAPK1 (0.53) MAPK1KCNH2PARP10PARP11
SCHEMBL12495999 0.81 KCNH2 (0.57) MAPK1KCNH2
SCHEMBL18112932 0.80 KCNH2 (0.55) MAPK1KCNH2
SCHEMBL25060659 0.78 ALOX5AP (0.50) MAPK1PRF1FEN1ALOX5APKCNH2

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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