SCHEMBL30822737

SCHEMBL30822737

CC(C)n1cnc2c(N)nc(NC3CCNCC3)nc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 4/20 0.58
▸ CLK2 P49760 4/20 0.58
▸ CLK4 Q9HAZ1 4/20 0.58
▸ CDK2 P24941 13/20 0.57
▸ CCNE1 P24864 9/20 0.57
▸ CDK1 P06493 5/20 0.57
▸ CCNB1 P14635 2/20 0.57
▸ FLT3 P36888 1/20 0.50
▸ CDK9 P50750 2/20 0.49
▸ CCNE2 O96020 7/20 0.47
▸ CCNA2 P20248 7/20 0.47
▸ CCNA1 P78396 7/20 0.47
▸ MAPK8 P45983 1/20 0.47

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
SCHEMBL30822749 0.93 CLK1 (0.67) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL30822750 0.82 FLT3 (0.57) CDK2CCNE1CDK1CCNB1FLT3
SCHEMBL23547403 0.77 CDK2 (0.55) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL30911090 0.77 CDK2 (0.55) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL22571127 0.76 CDK2 (0.67) CDK2CCNE1CDK1CCNB1CCNE2
SCHEMBL31072409 0.76 CDK2 (0.54) CLK1CLK2CLK4CDK2CDK1
SCHEMBL23530130 0.76 CLK1 (0.46) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL23547294 0.76 CDK2 (0.63) CDK2CCNE1CDK1CCNB1FLT3
SCHEMBL23547458 0.75 CLK1 (0.46) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL20028290 0.74 CLK1 (1.00) CLK1CLK2CLK4CDK2CCNE1

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
CN-117659016-A Cyclin modulators 嘉兴优博生物技术有限公司 2024-03-08 — — CN disclosed
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