SCHEMBL26869017

SCHEMBL26869017

Nc1cc(CC2CCC2)nc2c(C3CC3)cnn12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.37
CDK2 P24941 17/20 0.37
CCNA2 P20248 16/20 0.37
CCNA1 P78396 16/20 0.37
GSK3B P49841 1/20 0.30

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
SCHEMBL26869090 0.97 CHEK1 (0.37) CHEK1CDK2CCNA2CCNA1GSK3B
SCHEMBL26868107 0.95 CHEK1 (0.36) CHEK1CDK2CCNA2CCNA1
SCHEMBL26868951 0.83 CHEK1 (0.37) CHEK1CDK2CCNA2CCNA1
SCHEMBL26868955 0.81 CHEK1 (0.54) CHEK1CDK2CCNA2CCNA1
SCHEMBL26869018 0.80 CHEK1 (0.37) CHEK1CDK2CCNA2CCNA1
SCHEMBL26868957 0.80 CDK2 (0.38) CHEK1CDK2CCNA2CCNA1GSK3B
SCHEMBL26868953 0.80 CHEK1 (0.33) CHEK1CDK2CCNA2CCNA1
SCHEMBL26869020 0.78 CDK2 (0.54) CHEK1CDK2CCNA2CCNA1GSK3B
SCHEMBL14394867 0.77 CHEK1 (0.39) CHEK1CDK2CCNA2CCNA1
SCHEMBL26869019 0.77 CHEK1 (0.33) CHEK1CDK2CCNA2CCNA1

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