SCHEMBL1718964

SCHEMBL1718964

N#CCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 1.00
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
ESR1 P03372 1/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK1 P28482 1/20 0.51
APOBEC3A P31941 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.47

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 0.87 RXFP1 (0.78) RXFP1MAPTPOLBMEN1KMT2A
SCHEMBL1718558 0.86 RXFP1 (0.76) RXFP1MAPTPOLBMEN1KMT2A
SCHEMBL1719027 0.86 RXFP1 (0.80) RXFP1MAPTPOLBMEN1KMT2A
SCHEMBL1718797 0.86 RXFP1 (0.75) RXFP1MAPTPOLBMEN1KMT2A
SCHEMBL1718646 0.85 RXFP1 (0.74) RXFP1MAPTPOLBMEN1KMT2A
SCHEMBL1718437 0.85 RXFP1 (0.73) RXFP1MAPTPOLBMEN1KMT2A
SCHEMBL1719430 0.84 RXFP1 (0.72) RXFP1MAPTPOLBMEN1KMT2A
SCHEMBL1719773 0.83 RXFP1 (0.71) RXFP1MAPTPOLBMEN1KMT2A
SCHEMBL1720133 0.83 RXFP1 (0.71) RXFP1MAPTPOLBMEN1KMT2A
SCHEMBL3282802 0.82 RXFP1 (0.69) RXFP1MAPTPOLBMEN1KMT2A

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