SCHEMBL20006473

SCHEMBL20006473

CC(=O)N(C)c1cnc2ccc(Br)cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.41
MALT1 Q9UDY8 1/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHEK1 O14757 1/20 0.37
PIM1 P11309 1/20 0.37
AKT1 P31749 1/20 0.37
FLT3 P36888 1/20 0.37
PIM3 Q86V86 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL21494327 0.89 HTT (0.43) HTTTSHRALDH1A1MALT1MAPK1
SCHEMBL21512512 0.82 HTT (0.41) HTTTSHRALDH1A1MALT1MAPK1
SCHEMBL29969729 0.82 HTT (0.41) HTTTSHRALDH1A1MALT1MAPK1
SCHEMBL20006130 0.80 LRRK2 (0.31)
SCHEMBL10282246 0.77 HTT (0.64) HTTTSHRALDH1A1MALT1MAPK1
SCHEMBL20495103 0.74 HTT (0.53) HTTTSHRALDH1A1MAPK1RXFP1
SCHEMBL26131455 0.72 HTT (0.41) HTTTSHRALDH1A1MAPK1RXFP1
SCHEMBL22410703 0.71 MALT1 (0.56) HTTTSHRALDH1A1MALT1MAPK1
SCHEMBL21494424 0.69 HTT (0.46) HTTTSHRALDH1A1MALT1MAPK1
SCHEMBL1557613 0.69 TNF (0.42) HTTTSHRALDH1A1MALT1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140303-B1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-03-28 EP disclosed