SCHEMBL5326152

SCHEMBL5326152

Cc1nc2c(C#N)cnn2c(-c2ccccc2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
GLA P06280 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CSNK2A1 P68400 6/20 0.51
CLK4 Q9HAZ1 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
BLM P54132 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CDK2 P24941 1/20 0.41
MDM2 Q00987 1/20 0.41
NPC1 O15118 1/20 0.39

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
SCHEMBL5320636 0.89 CSNK2A1 (0.48) KDM4EALDH1A1HPGDGLAMAPK1
SCHEMBL5325828 0.88 CSNK2A1 (0.47) KDM4EALDH1A1HPGDGLAMAPK1
SCHEMBL5323448 0.88 CSNK2A1 (0.47) KDM4EALDH1A1HPGDGLAMAPK1
SCHEMBL5321374 0.87 KDM4E (0.47) KDM4EALDH1A1HPGDGLAMAPK1
SCHEMBL976567 0.74 KDM4E (0.48) KDM4EALDH1A1HPGDMAPK1KMT2A
SCHEMBL5326148 0.73 CDK2 (0.43) KDM4EALDH1A1HPGDGLAMAPK1
SCHEMBL5594559 0.71 CSNK2A1 (0.43) KDM4EALDH1A1HPGDGLAMAPK1
SCHEMBL14014371 0.70 KDM4E (0.59) KDM4EALDH1A1HPGDGLAMAPK1
SCHEMBL14463752 0.67 CDK2 (0.54) KDM4EALDH1A1HPGDGLAMAPK1
SCHEMBL12953150 0.65 CSNK2A1 (0.71) KDM4EALDH1A1HPGDGLAMAPK1

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