SCHEMBL27946388

SCHEMBL27946388

Nc1ncc(-c2cc[c]cc2)nc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ PARP10 Q53GL7 8/20 0.46
▸ PARP11 Q9NR21 8/20 0.46
▸ CDK4 P11802 2/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ CCND3 P30281 2/20 0.42
▸ CDK6 Q00534 2/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ MNAT1 P51948 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ MAPKAPK2 P49137 6/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ PRF1 P14222 1/20 0.39
▸ MKNK1 Q9BUB5 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
SCHEMBL12495603 0.88 MAPK1 (0.48) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12495446 0.85 MAPK1 (0.48) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12495613 0.85 MAPK1 (0.48) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL18936968 0.83 MAPK1 (0.46) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12077111 0.83 MAPK1 (0.44) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12077344 0.83 MAPK1 (0.44) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12495496 0.83 MAPK1 (0.44) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL30040608 0.83 MAPK1 (0.53) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12077690 0.83 MAPK1 (0.53) MAPK1PARP10PARP11CDK4CCND1
Cyanide SCHEMBL27928724 0.83 MAPK1 (0.57) MAPK1PARP10PARP11CDK4CCND1

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
CN-103429582-A MST1 kinase inhibitors and method of use thereof LEXICON PHARMACEUTICALS INC 2013-12-04 — — CN disclosed
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