SCHEMBL12495994

SCHEMBL12495994

CC(C)(C#N)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ PARP10 Q53GL7 7/20 0.40
▸ PARP11 Q9NR21 7/20 0.40
▸ PRF1 P14222 2/20 0.40
▸ MAPKAPK2 P49137 6/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ CDK4 P11802 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ CCND3 P30281 2/20 0.36
▸ CDK6 Q00534 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ MNAT1 P51948 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ GRM5 P41594 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
SCHEMBL12077111 0.85 MAPK1 (0.44) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL12495970 0.82 MAPK1 (0.42) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL18937020 0.82 MAPK1 (0.45) MAPK1PARP10PARP11PRF1MAPKAPK2
SCHEMBL12495603 0.79 MAPK1 (0.48) MAPK1PARP10PARP11MAPKAPK2CDK4
SCHEMBL12495613 0.78 MAPK1 (0.48) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL18936968 0.77 MAPK1 (0.46) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL27946388 0.76 MAPK1 (0.49) MAPK1PARP10PARP11PRF1MAPKAPK2
SCHEMBL18936954 0.76 FGFR1 (0.48) MAPK1PARP10PARP11MAPKAPK2
SCHEMBL12495496 0.75 MAPK1 (0.44) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL12077344 0.75 MAPK1 (0.44) MAPK1PARP10PARP11PRF1MAPKAPK2

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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