SCHEMBL1718697

SCHEMBL1718697

O=C(NCCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.69
USP2 O75604 1/20 0.58
MAPT P10636 3/20 0.58
RXFP1 Q9HBX9 2/20 0.58
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE2A O00408 1/20 0.48

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
SCHEMBL1718667 0.94 MAPT (0.67) MAPK1USP2MAPTRXFP1GAA
SCHEMBL1718638 0.90 MAPK1 (0.66) MAPK1USP2MAPTRXFP1GAA
SCHEMBL1718437 0.89 RXFP1 (0.73) MAPK1MAPTRXFP1GAAL3MBTL1
SCHEMBL1718280 0.88 MAPK1 (0.68) MAPK1USP2MAPTRXFP1GAA
SCHEMBL1718005 0.86 MAPK1 (0.63) MAPK1USP2MAPTRXFP1GAA
SCHEMBL1718636 0.85 MAPK1 (0.62) MAPK1USP2MAPTRXFP1GAA
SCHEMBL1719141 0.84 MAPT (0.64) MAPK1USP2MAPTRXFP1GAA
SCHEMBL1718992 0.83 USP2 (0.69) MAPK1USP2MAPTRXFP1GAA
SCHEMBL1718513 0.82 MAPT (0.64) MAPK1USP2MAPTRXFP1GAA
SCHEMBL3278674 0.82 USP2 (0.70) MAPK1USP2MAPTRXFP1GAA

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