SCHEMBL30848441

SCHEMBL30848441

CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(N3CCCC3)nc21

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 14/20 0.78
CDK2 P24941 14/20 0.78
CCNE2 O96020 11/20 0.78
CCNA2 P20248 7/20 0.78
CCNA1 P78396 7/20 0.78
CDK1 P06493 3/20 0.66
CDK5 Q00535 3/20 0.66
CSNK1E P49674 1/20 0.64
CLK1 P49759 1/20 0.64
CLK2 P49760 1/20 0.64
CDK7 P50613 1/20 0.64
DYRK1A Q13627 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.62
TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL30848452 0.91 CCNE1 (0.79) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL30848510 0.87 CCNE1 (0.70) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL27151884 0.86 CCNE2 (1.00) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL27151883 0.86 CCNE2 (1.00) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL27152969 0.86 CCNE2 (1.00) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL27138833 0.85 CCNE1 (0.74) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL27138831 0.85 CCNE1 (0.74) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL29949486 0.85 CCNE1 (0.98) CCNE1CDK2CCNE2CCNA2CDK1
SCHEMBL29164909 0.83 CDK2 (0.70) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL29164910 0.83 CDK2 (0.70) CCNE1CDK2CCNE2CCNA2CCNA1

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-2024041661-A1 CYCLIN MODULATOR 嘉兴优博生物技术有限公司 2024-02-29 WO disclosed