SCHEMBL6039246

SCHEMBL6039246

CC(C)NC(=O)N1CCCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 14/20 0.82
▸ MAPK9 P45984 14/20 0.82
▸ CDK2 P24941 14/20 0.82
▸ JUN P05412 13/20 0.82
▸ MAPK10 P53779 10/20 0.82
▸ CCNK O75909 5/20 0.73
▸ CDK12 Q9NYV4 5/20 0.73
▸ CDK7 P50613 4/20 0.73
▸ CCNH P51946 4/20 0.73
▸ MNAT1 P51948 4/20 0.73
▸ CCNT1 O60563 4/20 0.73
▸ CDK9 P50750 4/20 0.73
▸ CCNE1 P24864 2/20 0.72
▸ CCNA2 P20248 1/20 0.65
▸ CDK13 Q14004 1/20 0.65

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
SCHEMBL6039591 0.91 MAPK8 (0.80) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039163 0.90 MAPK8 (1.00) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039767 0.88 CDK2 (0.79) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039703 0.87 CDK2 (0.83) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL29613421 0.86 CDK2 (0.76) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039872 0.86 CDK2 (0.84) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL18313056 0.86 CDK2 (0.75) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL31006840 0.85 CDK2 (0.75) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL24839830 0.85 CCNK (1.00) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL20416395 0.85 CDK2 (0.73) MAPK8MAPK9CDK2JUNMAPK10

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
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 — — WO disclosed
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