SCHEMBL6039955

SCHEMBL6039955

Clc1cnc(NC2CCN(Cc3cccnc3)CC2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.66
▸ MAPK8 P45983 12/20 0.66
▸ MAPK9 P45984 12/20 0.66
▸ JUN P05412 11/20 0.66
▸ MAPK10 P53779 8/20 0.66
▸ CCNK O75909 8/20 0.60
▸ CDK12 Q9NYV4 8/20 0.60
▸ CCNT1 O60563 6/20 0.60
▸ CDK9 P50750 6/20 0.60
▸ CCNE1 P24864 5/20 0.60
▸ CDK7 P50613 7/20 0.59
▸ CCNH P51946 6/20 0.59
▸ MNAT1 P51948 5/20 0.59
▸ CRBN Q96SW2 1/20 0.58

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
SCHEMBL16655282 0.89 CDK2 (0.69) CDK2MAPK8MAPK9JUNMAPK10
Hydrochloric Acid SCHEMBL16655078 0.88 CDK2 (0.68) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16665666 0.88 CDK2 (0.68) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL6039776 0.88 MAPK8 (0.75) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16655101 0.87 CDK2 (0.64) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16655137 0.87 CDK2 (0.64) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16665620 0.86 CDK2 (0.71) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16655105 0.85 CDK2 (0.67) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL18047380 0.85 CDK2 (0.64) CDK2MAPK8MAPK9JUNMAPK10
SCHEMBL16655261 0.84 CDK7 (0.67) CDK2MAPK8MAPK9JUNMAPK10

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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