SCHEMBL1718477

SCHEMBL1718477

CC(NC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 5/20 0.64
TP53 P04637 5/20 0.60
MAPT P10636 4/20 0.60
HTT P42858 2/20 0.60
HPGD P15428 5/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TACR3 P29371 1/20 0.57
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
PHGDH O43175 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL1719078 0.86 KDM4E (0.69) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL1718028 0.85 KDM4E (0.66) KDM4EALDH1A1TP53MAPTHTT
SCHEMBL1718283 0.80 MAPT (0.62) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL4207359 0.80 TP53 (0.84) KDM4EALDH1A1TP53MAPTHTT
SCHEMBL14014123 0.79 KDM4E (0.79) KDM4EALDH1A1TP53MAPTHTT
SCHEMBL4491712 0.79 KDM4E (1.00) KDM4EALDH1A1TP53MAPTHTT
SCHEMBL25970341 0.78 KDM4E (0.59) KDM4EALDH1A1TP53MAPTHTT
Hydrochloric Acid SCHEMBL30516216 0.78 KDM4E (0.58) KDM4EALDH1A1TP53MAPTHTT
SCHEMBL1718354 0.77 KDM4E (0.56) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL1718891 0.77 KDM4E (0.67) KDM4EALDH1A1TP53MAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed