SCHEMBL5326148

SCHEMBL5326148

Cc1nc2c(C#N)cnn2c(C2CCCCC2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.43
CHEK1 O14757 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
CSNK2A1 P68400 5/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
KCNH2 Q12809 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PDE2A O00408 1/20 0.35
CSNK2A2 P19784 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5320632 0.89 CDK2 (0.41) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL5323444 0.88 CDK2 (0.40) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL5325823 0.88 CDK2 (0.40) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL5321368 0.88 CSNK2A1 (0.41) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL5329409 0.76 KDM4E (0.32) KDM4EHTTPDE2A
SCHEMBL976565 0.75 PDE2A (0.43) MAPK1PDE2A
SCHEMBL5326152 0.73 KDM4E (0.54) CDK2CSNK2A1KDM4EALDH1A1HPGD
SCHEMBL14423709 0.69 BCL6 (0.38) CDK2CSNK2A1KDM4EHTTGAA
SCHEMBL5594559 0.69 CSNK2A1 (0.43) CDK2CSNK2A1KDM4EALDH1A1HPGD
SCHEMBL14463752 0.67 CDK2 (0.54) CDK2CSNK2A1KDM4EALDH1A1HPGD

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