SCHEMBL5345618

SCHEMBL5345618

CC(C)(C)C(CO)Nc1c(-c2ncc(Cl)cc2Cl)c(Cl)nc2c(C#N)cnn12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.39
KDM4E B2RXH2 5/20 0.34
PDE2A O00408 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CRHR1 P34998 1/20 0.31
CSNK2A1 P68400 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
SCHEMBL5345610 1.00 CDK2 (0.39) CDK2KDM4EPDE2AALDH1A1HPGD
SCHEMBL5351754 0.88 CDK2 (0.41) CDK2KDM4EPDE2AALDH1A1HPGD
SCHEMBL5351750 0.88 CDK2 (0.41) CDK2KDM4EPDE2AALDH1A1HPGD
SCHEMBL5323810 0.76 KDM4E (0.44) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14414314 0.75 KDM4E (0.47) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5324293 0.71 KDM4E (0.43) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2796083 0.69 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5321324 0.69 CDK2 (0.41) CDK2KDM4EPDE2AALDH1A1HPGD
SCHEMBL5321326 0.69 CDK2 (0.41) CDK2KDM4EPDE2AALDH1A1HPGD
SCHEMBL5593539 0.68 CRHR1 (0.33) CDK2KDM4EALDH1A1HPGDLMNA

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-2007101859-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF FOR CONTROLLING PARASITIC FUNGI AND AGENTS CONTAINING THE LATTER BASF SE (DE) 2007-09-13 WO disclosed