SCHEMBL7261085

SCHEMBL7261085

O=C(NCc1ccncc1)c1ccc(-c2nc3cccc4c3n2CCC4=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.49
PARP1 P09874 6/20 0.47
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 4/20 0.47
PRKACA P17612 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
PRKX P51817 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
PRKCG P05129 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MAPK1 P28482 1/20 0.47
AKT1 P31749 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKG2 Q13237 1/20 0.47
DYRK1A Q13627 1/20 0.47
PRKG1 Q13976 1/20 0.47
PKN2 Q16513 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
SCHEMBL7261120 0.90 ALDH1A1 (0.48) MMP13PARP1LMNAALDH1A1HTT
SCHEMBL7265019 0.85 LMNA (0.52) PARP1LMNAALDH1A1NPC1RAB9A
SCHEMBL7260372 0.83 MAPK14 (0.45) PARP1MAPK14CYP2C9
SCHEMBL7266685 0.82 NPSR1 (0.49) ALDH1A1CYP2D6CYP2C9
SCHEMBL7261724 0.80 CD274 (0.56) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7265103 0.79 NPC1 (0.46) PARP1MAPK1ALDH1A1NPC1RAB9A
SCHEMBL7261090 0.78 PARP1 (0.46) PARP1
SCHEMBL6199833 0.74 PARP1 (0.66) PARP1
SCHEMBL7260419 0.72 HTT (0.42) PARP1CYP3A4HTTCYP2C9
SCHEMBL423080 0.71 PARP1 (0.56) PARP1

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
WO-2003103666-A2 NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES ALTANA PHARMA AG (DE) 2003-12-18 WO claimed
WO-2003103666-A2 NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES ALTANA PHARMA AG (DE) 2003-12-18 WO disclosed