SCHEMBL6039768

SCHEMBL6039768

O=C(C1CCCC1)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 16/20 0.77
▸ MAPK9 P45984 16/20 0.77
▸ CDK2 P24941 16/20 0.77
▸ JUN P05412 15/20 0.77
▸ MAPK10 P53779 11/20 0.77
▸ CCNT1 O60563 4/20 0.65
▸ CCNK O75909 4/20 0.65
▸ CDK9 P50750 4/20 0.65
▸ CDK12 Q9NYV4 4/20 0.65
▸ CCNE1 P24864 3/20 0.65
▸ CDK7 P50613 3/20 0.63
▸ CCNH P51946 2/20 0.63
▸ CRBN Q96SW2 1/20 0.63
▸ MNAT1 P51948 1/20 0.62

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
SCHEMBL6039238 0.96 MAPK8 (0.79) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039678 0.94 MAPK8 (0.75) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039478 0.92 MAPK8 (0.73) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039260 0.92 CDK2 (0.77) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL20416399 0.91 CDK2 (0.71) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039868 0.91 MAPK8 (0.73) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039569 0.90 CDK2 (0.72) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039309 0.89 MAPK8 (0.92) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039388 0.89 MAPK8 (0.82) MAPK8MAPK9CDK2JUNMAPK10
SCHEMBL6039296 0.89 MAPK8 (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
Send feedback