SCHEMBL18936968

SCHEMBL18936968

CC(C)(O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ PARP10 Q53GL7 7/20 0.43
▸ PARP11 Q9NR21 7/20 0.43
▸ KCNH2 Q12809 3/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ MAPKAPK2 P49137 4/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CCND1 P24385 2/20 0.40
▸ CCND3 P30281 2/20 0.40
▸ CDK6 Q00534 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ MAPK9 P45984 1/20 0.38

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
SCHEMBL12495613 0.92 MAPK1 (0.48) MAPK1PARP10PARP11KCNH2GSK3B
SCHEMBL12077111 0.87 MAPK1 (0.44) MAPK1PARP10PARP11KCNH2GSK3B
SCHEMBL27946388 0.83 MAPK1 (0.49) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL12496261 0.83 MAPK1 (0.42) MAPK1PARP10PARP11KCNH2GSK3B
SCHEMBL12495603 0.82 MAPK1 (0.48) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL18936988 0.82 KCNH2 (0.46) MAPK1PARP10PARP11KCNH2GSK3B
SCHEMBL12495736 0.82 CDK4 (0.46) MAPK1PARP10PARP11KCNH2GSK3B
SCHEMBL12495446 0.82 MAPK1 (0.48) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL18936954 0.81 FGFR1 (0.48) MAPK1PARP10PARP11MAPKAPK2
SCHEMBL27157789 0.80 CHEK1 (0.59) MAPK1PARP10PARP11MAPKAPK2CDK4

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 1 patent. 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
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