SCHEMBL28529195

SCHEMBL28529195

CCN1CCN(c2ccc(Nc3ncc(C#N)c(-c4cn(CCC(N)=O)c5ccccc45)n3)c(OC(N)=O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ CCNB1 P14635 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ CDK7 P50613 2/20 0.49
▸ CCNH P51946 2/20 0.49
▸ MNAT1 P51948 2/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ EGFR P00533 16/20 0.48
▸ IGF1R P08069 2/20 0.45
▸ KCNH2 Q12809 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ PLK3 Q9H4B4 1/20 0.41
▸ PLK2 Q9NYY3 1/20 0.41

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
SCHEMBL28953575 0.94 CDK2 (0.50) CDK2CDK1CCNB1FLT3CDK7
SCHEMBL21600885 0.87 CDK1 (0.47) CDK2CDK1CCNB1FLT3CDK7
SCHEMBL21596377 0.87 EGFR (0.49) CDK2CDK1CCNB1FLT3CDK7
SCHEMBL30379774 0.87 EGFR (0.49) CDK2CDK1CCNB1FLT3CDK7
SCHEMBL28525603 0.83 IGF1R (0.44) CDK2FLT3CDK7EGFRIGF1R
SCHEMBL28542726 0.83 FLT3 (0.59) CDK2CDK1CCNB1FLT3CDK7
SCHEMBL28909332 0.82 IGF1R (0.52) CDK2IGF1RPLK1PLK3PLK2
SCHEMBL21600952 0.81 CDK2 (0.47) CDK2CDK1CCNB1FLT3CDK7
SCHEMBL21596407 0.80 FLT3 (0.48) CDK2CDK1CCNB1FLT3CDK7
SCHEMBL21600798 0.80 EGFR (0.51) CDK2CDK1CCNB1FLT3CDK7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313207-B Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2023-02-14 — — CN disclosed
CN-112313207-A Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2021-02-02 — — CN disclosed
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