SCHEMBL26869003

SCHEMBL26869003

CCc1cnn2c(NC)cc(CC3CCCC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.39
CCNA2 P20248 2/20 0.39
CCNA1 P78396 2/20 0.39
CHEK1 O14757 2/20 0.39
CDK9 P50750 6/20 0.36
CDK5 Q00535 4/20 0.36
CDK1 P06493 4/20 0.36
CDK7 P50613 4/20 0.35
GSK3B P49841 4/20 0.35
CDK12 Q9NYV4 3/20 0.35
CCNE1 P24864 3/20 0.35
GSK3A P49840 2/20 0.35
TAOK1 Q7L7X3 2/20 0.35
CCNT1 O60563 2/20 0.35
CCNK O75909 2/20 0.35
CCNH P51946 2/20 0.35
MNAT1 P51948 2/20 0.35
CDK13 Q14004 2/20 0.35
CCNT2 O60583 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL26875677 0.85 MEN1 (0.36) CDK2CHEK1CDK9CDK5CDK1
SCHEMBL26869020 0.82 CDK2 (0.54) CDK2CCNA2CCNA1CHEK1CDK9
SCHEMBL26868955 0.80 CHEK1 (0.54) CDK2CCNA2CCNA1CHEK1CDK9
SCHEMBL26869324 0.80 TYK2 (0.36) CDK2CHEK1CDK9CDK5CDK1
SCHEMBL26868024 0.77 CHEK1 (0.53) CDK2CCNA2CCNA1CHEK1GSK3B
SCHEMBL26874963 0.77 CDK2 (0.42) CDK2CDK9CDK5CDK1CDK7
SCHEMBL26869077 0.74 CDK9 (0.38) CDK2CCNA2CCNA1CHEK1CDK9
SCHEMBL27383991 0.72 TYK2 (0.46) CDK2CCNA2CCNA1CHEK1CDK9
SCHEMBL26873489 0.69 CSNK2B (0.44) CDK2CHEK1CDK9CDK7CDK12
SCHEMBL26869434 0.68 CDK9 (0.47) CDK2CCNA2CCNA1CDK9CDK5

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
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 EP disclosed