SCHEMBL1719155

SCHEMBL1719155

Cc1ccc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4cc(Br)cs4)nc3c2Br)cc1C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MAPT P10636 5/20 0.53
RXFP1 Q9HBX9 4/20 0.53
MEN1 O00255 6/20 0.48
ALDH1A1 P00352 5/20 0.48
POLB P06746 3/20 0.48
ESR1 P03372 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGES O14684 1/20 0.41

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
SCHEMBL1719289 0.88 KMT2A (0.57) KMT2AMAPTRXFP1MEN1ALDH1A1
SCHEMBL1717989 0.88 KMT2A (0.58) KMT2AMAPTRXFP1MEN1ALDH1A1
SCHEMBL1718391 0.87 KMT2A (0.60) KMT2AMAPTRXFP1MEN1ALDH1A1
SCHEMBL1719818 0.87 MAPT (0.57) KMT2AMAPTRXFP1MEN1ALDH1A1
SCHEMBL1719596 0.85 KMT2A (0.56) KMT2AMAPTRXFP1MEN1ALDH1A1
SCHEMBL1718640 0.85 RXFP1 (0.66) KMT2AMAPTRXFP1MEN1ALDH1A1
SCHEMBL1718494 0.83 KMT2A (0.55) KMT2AMAPTRXFP1MEN1ALDH1A1
SCHEMBL1718687 0.79 KMT2A (0.55) KMT2AMAPTRXFP1MEN1ALDH1A1
SCHEMBL1719003 0.79 KMT2A (0.55) KMT2AMAPTRXFP1MEN1ALDH1A1
SCHEMBL1718002 0.79 KMT2A (0.65) KMT2AMAPTRXFP1MEN1ALDH1A1

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