SCHEMBL29066869

SCHEMBL29066869

CC1(C)CCC(c2cc(Cl)nc3c(C#N)cnn23)CN1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.45
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.35
▸ CSNK2A1 P68400 7/20 0.35
▸ PLAT P00750 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ BCL6 P41182 1/20 0.32

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
SCHEMBL29066865 1.00 CDK2 (0.45) CDK2KDM4EALDH1A1GLAHPGD
SCHEMBL15288383 0.68 CDK2 (0.61) CDK2KDM4EALDH1A1GLAHPGD
SCHEMBL15288758 0.67 CDK2 (0.64) CDK2CSNK2A1BCL6
SCHEMBL30524307 0.67 CDK2 (0.54) CDK2CSNK2A1GSK3BBCL6
SCHEMBL19753996 0.66 CDK2 (0.50) CDK2KDM4EALDH1A1GLAHPGD
SCHEMBL21067605 0.62 CDK2 (1.00) CDK2KDM4EALDH1A1GLAHPGD
SCHEMBL19742650 0.62 CDK2 (0.45) CDK2KDM4EALDH1A1GLAHPGD
SCHEMBL19742653 0.61 CDK2 (0.46) CDK2CSNK2A1GSK3BBCL6
SCHEMBL18343698 0.60 KDM4E (0.59) CDK2KDM4EALDH1A1GLAHPGD
SCHEMBL8226808 0.60 KDM4E (0.49) CDK2KDM4EALDH1A1GLAHPGD

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-116693538-A Pyrazolopyrimidine derivative, and preparation method and application thereof 成都苑东生物制药股份有限公司 2023-09-05 — — CN disclosed
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