SCHEMBL6039739

SCHEMBL6039739

O=C(O)N1CC(NCC(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)C1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 17/20 0.78
▸ MAPK9 P45984 17/20 0.78
▸ JUN P05412 16/20 0.78
▸ CDK2 P24941 15/20 0.78
▸ MAPK10 P53779 12/20 0.78
▸ CCNT1 O60563 3/20 0.58
▸ CCNK O75909 3/20 0.58
▸ CDK9 P50750 3/20 0.58
▸ CDK12 Q9NYV4 3/20 0.58
▸ CCNE1 P24864 1/20 0.58
▸ CDK7 P50613 2/20 0.57
▸ CCNH P51946 2/20 0.57
▸ CCNA2 P20248 1/20 0.57
▸ CDK13 Q14004 1/20 0.57
▸ MNAT1 P51948 1/20 0.56

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
SCHEMBL6039384 0.91 MAPK8 (0.81) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039747 0.91 CDK2 (0.81) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039619 0.89 MAPK8 (0.80) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039935 0.89 MAPK8 (0.78) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039608 0.88 MAPK8 (1.00) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039868 0.88 MAPK8 (0.73) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039551 0.88 MAPK8 (0.76) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039433 0.86 MAPK8 (0.81) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039314 0.86 MAPK8 (0.84) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL6039777 0.86 MAPK8 (0.83) 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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