SCHEMBL5325823

SCHEMBL5325823

N#Cc1cnn2c(C3CCCCC3)c(-c3c(F)cc(F)cc3F)c(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.40
CHEK1 O14757 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
MAPKAPK2 P49137 1/20 0.37
CSNK2A1 P68400 5/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
CSNK2A2 P19784 3/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCL6 P41182 1/20 0.33
HTT P42858 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
SCHEMBL5326148 0.88 CDK2 (0.43) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL5320632 0.88 CDK2 (0.41) CDK2CHEK1CCNA2CCNA1MAPKAPK2
SCHEMBL5323444 0.87 CDK2 (0.40) CDK2CHEK1CCNA2CCNA1MAPKAPK2
SCHEMBL5321368 0.85 CSNK2A1 (0.41) CDK2CHEK1CCNA2CCNA1MAPKAPK2
SCHEMBL5329409 0.84 KDM4E (0.32) KDM4EHTT
SCHEMBL5594559 0.81 CSNK2A1 (0.43) CDK2MAPKAPK2CSNK2A1ALDH1A1KDM4E
SCHEMBL14423709 0.77 BCL6 (0.38) CDK2MAPKAPK2CSNK2A1KDM4EBCL6
SCHEMBL5323120 0.75 TP53 (0.33) ALDH1A1KDM4EHPGD
SCHEMBL14463752 0.75 CDK2 (0.54) CDK2MAPKAPK2CSNK2A1ALDH1A1KDM4E
SCHEMBL14423710 0.75 AR (0.40) CDK2MAPKAPK2CSNK2A1KDM4ECSNK2A2

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-2007118844-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING HARMFUL FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-10-25 WO disclosed