SCHEMBL29329628

SCHEMBL29329628

CCc1cnn2c(Cl)c3c(nc12)C1(CCCCC1)CC3

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL29329751 0.83
SCHEMBL29329743 0.82
SCHEMBL29329753 0.81 GSK3B (0.30)
SCHEMBL29329747 0.80
SCHEMBL29329745 0.80 GSK3B (0.30) CHEK1CCNA2CDK2CCNA1
SCHEMBL29329762 0.79
SCHEMBL30991999 0.79 GSK3B (0.41) CCNA2CDK2CCNA1
SCHEMBL29329842 0.77 HRH3 (0.32)
Hydrochloric Acid SCHEMBL30991901 0.77 CDK2 (0.40) CHEK1CCNA2CDK2CCNA1
SCHEMBL29329756 0.74 GSK3B (0.32) CHEK1CCNA2CDK2CCNA1

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-2024151112-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR 주식회사 티움바이오 2024-07-18 WO disclosed