SCHEMBL26868024

SCHEMBL26868024

CCc1cnn2c(N)cc(CC3CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.53
CCNA2 P20248 7/20 0.53
CDK2 P24941 7/20 0.53
CCNA1 P78396 7/20 0.53
CSNK2A1 P68400 1/20 0.35
PLAT P00750 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 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
SCHEMBL26869020 0.95 CDK2 (0.54) CHEK1CCNA2CDK2CCNA1CSNK2A1
SCHEMBL26868955 0.95 CHEK1 (0.54) CHEK1CCNA2CDK2CCNA1CSNK2A1
SCHEMBL26868021 0.83 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1CSNK2A1
SCHEMBL26868026 0.80 CDK2 (0.37) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL26868107 0.80 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1PLAT
SCHEMBL26868951 0.78 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL26869018 0.78 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL26868023 0.77 GRM2 (0.34) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL26869003 0.77 CDK2 (0.39) CHEK1CCNA2CDK2CCNA1CSNK2A1
SCHEMBL26869090 0.75 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1GSK3B

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