SCHEMBL1718565

SCHEMBL1718565

O=C(NCCCN1CCOCC1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.69
USP2 O75604 1/20 0.67
GAA P10253 4/20 0.59
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 3/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 4/20 0.57
LMNA P02545 1/20 0.57
ABCB1 P08183 1/20 0.57
ABCC1 P33527 1/20 0.57
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 2/20 0.51

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
SCHEMBL1718992 0.95 USP2 (0.69) MAPK1USP2GAAMAPTL3MBTL1
SCHEMBL1719737 0.93 GAA (0.61) MAPK1USP2GAAMAPTL3MBTL1
SCHEMBL1718370 0.88 USP2 (0.59) MAPK1USP2GAAMAPTL3MBTL1
SCHEMBL1718567 0.87 KMT2A (0.65) MAPK1USP2GAAMAPTL3MBTL1
SCHEMBL1718836 0.87 GAA (0.65) MAPK1USP2GAAMAPTL3MBTL1
SCHEMBL1718697 0.82 MAPK1 (0.69) MAPK1USP2GAAMAPTL3MBTL1
SCHEMBL1718280 0.81 MAPK1 (0.68) MAPK1USP2GAAMAPTL3MBTL1
SCHEMBL4197430 0.81 USP2 (1.00) MAPK1USP2GAAMAPTALDH1A1
SCHEMBL1718638 0.80 MAPK1 (0.66) MAPK1USP2GAAMAPTL3MBTL1
SCHEMBL1718369 0.78 RXFP1 (0.59) MAPK1USP2GAAMAPTL3MBTL1

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