SCHEMBL5594559

SCHEMBL5594559

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.43
CDK2 P24941 2/20 0.41
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
KHK P50053 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL5325828 0.82 CSNK2A1 (0.47) CSNK2A1CDK2KDM4EALDH1A1HPGD
SCHEMBL5232625 0.82 CDK2 (0.33) CDK2MAPKAPK2
SCHEMBL14463752 0.81 CDK2 (0.54) CSNK2A1CDK2KDM4EALDH1A1HPGD
SCHEMBL4695582 0.81 CSNK2A1 (0.39) CSNK2A1CDK2KDM4EALDH1A1HPGD
SCHEMBL5325823 0.81 CDK2 (0.40) CSNK2A1CDK2KDM4EALDH1A1HPGD
SCHEMBL4691830 0.80 CSNK2A1 (0.46) CSNK2A1CDK2KDM4EALDH1A1HPGD
SCHEMBL18863648 0.79 CDK2 (0.45) CSNK2A1CDK2KDM4EALDH1A1HPGD
SCHEMBL14463868 0.78 CDK2 (0.47) CSNK2A1CDK2KDM4EALDH1A1HPGD
SCHEMBL14423710 0.77 AR (0.40) CSNK2A1CDK2KDM4EMAPKAPK2GAA
SCHEMBL14463924 0.77 CDK2 (0.35) CSNK2A1CDK2KDM4EALDH1A1HPGD

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-2007101804-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR CONTROLLING PARASITIC FUNGI AND AGENTS COMPRISING THE SAME BASF SE (DE) 2007-09-13 WO disclosed