SCHEMBL6070028

SCHEMBL6070028

Cc1cc(Nc2nccc(-c3ccnn3-c3ccccc3)n2)cc(C(=O)N2CCNCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.46
MKNK1 Q9BUB5 1/20 0.43
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
CCNT1 O60563 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
DYRK2 Q92630 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
IKBKG Q9Y6K9 1/20 0.41
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40

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
SCHEMBL6070706 0.92 CDK1 (0.51) SYKCDK1CDK2
SCHEMBL6070502 0.90 CAMK2D (0.46) SYKMKNK1CCNCCDK8DYRK2
SCHEMBL6070034 0.88 MKNK1 (0.55) SYKMKNK1CDK1CDK2CCNT1
SCHEMBL6070167 0.82 SYK (0.51) SYKCDK1CDK2
SCHEMBL6070069 0.82 CDK2 (0.53) SYKCDK2
SCHEMBL6069652 0.80 CDK2 (0.62) SYKCDK1CDK2CCNT1CCNA2
SCHEMBL6070012 0.78 KDR (0.63) CDK1CDK2CCNT1CCNB1CCNA2
SCHEMBL6070240 0.77 KDR (0.54) SYK
SCHEMBL6069873 0.76 KDR (0.53) SYK
SCHEMBL6069779 0.76 JAK2 (0.57) CDK1CDK2CCNT1CCNB1CCNA2

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
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed