SCHEMBL30822749

SCHEMBL30822749

CC(C)n1cnc2c(N)nc(NC3CCNC3)nc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 4/20 0.67
▸ CLK2 P49760 4/20 0.67
▸ CLK4 Q9HAZ1 4/20 0.67
▸ CDK2 P24941 13/20 0.53
▸ CCNE1 P24864 9/20 0.53
▸ CDK1 P06493 5/20 0.53
▸ CCNB1 P14635 2/20 0.53
▸ FLT3 P36888 1/20 0.46
▸ CDK9 P50750 2/20 0.45
▸ CCNE2 O96020 7/20 0.43
▸ CCNA2 P20248 7/20 0.43
▸ CCNA1 P78396 7/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42

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
SCHEMBL30822737 0.93 CLK1 (0.58) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL20028287 0.81 CLK1 (1.00) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL20028640 0.81 CLK1 (1.00) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL20028290 0.81 CLK1 (1.00) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL30822750 0.81 FLT3 (0.57) CDK2CCNE1CDK1CCNB1FLT3
SCHEMBL31707903 0.77 CLK1 (0.56) CLK1CLK2CLK4CDK2CCNE1
Hydrochloric Acid SCHEMBL31707881 0.76 CLK1 (0.55) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL20027792 0.76 CLK1 (0.79) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL20028201 0.76 CLK1 (0.79) CLK1CLK2CLK4CDK2CCNE1
SCHEMBL20027793 0.76 CLK1 (0.79) 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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