SCHEMBL1718797

SCHEMBL1718797

COCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.75
MAPT P10636 3/20 0.59
ALDH1A1 P00352 8/20 0.57
POLB P06746 4/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.51
ESR1 P03372 1/20 0.51
BLM P54132 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1718651 0.90 RXFP1 (0.78) RXFP1MAPTALDH1A1POLBMAPK1
SCHEMBL1719027 0.89 RXFP1 (0.80) RXFP1MAPTALDH1A1POLBKDM4E
SCHEMBL1718280 0.89 MAPK1 (0.68) RXFP1MAPTALDH1A1POLBKDM4E
SCHEMBL1718437 0.88 RXFP1 (0.73) RXFP1MAPTALDH1A1POLBMAPK1
SCHEMBL1718964 0.86 RXFP1 (1.00) RXFP1MAPTALDH1A1POLBKDM4E
SCHEMBL1718558 0.85 RXFP1 (0.76) RXFP1MAPTALDH1A1POLBKDM4E
SCHEMBL1719711 0.85 POLB (0.70) RXFP1MAPTALDH1A1POLBMAPK1
SCHEMBL1717917 0.85 RXFP1 (0.72) RXFP1MAPTALDH1A1POLBKDM4E
SCHEMBL1719430 0.83 RXFP1 (0.72) RXFP1MAPTALDH1A1POLBKDM4E
SCHEMBL1719773 0.82 RXFP1 (0.71) RXFP1MAPTALDH1A1POLBKDM4E

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