SCHEMBL1718283

SCHEMBL1718283

CC(NC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
TP53 P04637 2/20 0.60
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 4/20 0.59
HSD17B10 Q99714 3/20 0.59
POLB P06746 1/20 0.56
THRB P10828 2/20 0.56
LMNA P02545 3/20 0.55
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53

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 0.93 KDM4E (0.69) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL1718354 0.88 KDM4E (0.56) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL1719054 0.87 TTR (0.68) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL1718061 0.81 TP53 (0.67) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL1719812 0.81 KDM4E (0.57) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL1719145 0.81 KDM4E (0.80) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL1718125 0.80 MAPT (0.80) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL1718477 0.80 KDM4E (0.64) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL1718481 0.80 MAPT (0.70) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL1718319 0.80 MAPT (0.70) MAPTTP53KDM4EALDH1A1SMN1; SMN2

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