SCHEMBL6039337

SCHEMBL6039337

CC(=O)N1CCCC1C(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 16/20 0.71
▸ MAPK9 P45984 16/20 0.71
▸ JUN P05412 15/20 0.71
▸ CDK2 P24941 14/20 0.71
▸ MAPK10 P53779 11/20 0.71
▸ CCNK O75909 3/20 0.63
▸ CDK12 Q9NYV4 3/20 0.63
▸ CCNT1 O60563 2/20 0.63
▸ CDK9 P50750 2/20 0.63
▸ CCNE1 P24864 1/20 0.63
▸ CDK7 P50613 3/20 0.61
▸ CCNH P51946 2/20 0.61
▸ MNAT1 P51948 2/20 0.61

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
SCHEMBL6039340 1.00 MAPK8 (0.71) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039346 1.00 MAPK8 (0.71) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039388 0.89 MAPK8 (0.82) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039395 0.88 MAPK8 (0.69) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039591 0.87 MAPK8 (0.80) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039768 0.86 MAPK8 (0.77) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039238 0.86 MAPK8 (0.79) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039296 0.85 MAPK8 (0.73) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039422 0.84 MAPK8 (0.77) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039943 0.84 MAPK8 (0.79) MAPK8MAPK9JUNCDK2MAPK10

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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