SCHEMBL5218648

SCHEMBL5218648

Nc1nccc(CCc2ccccc2)c1N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.45
MAOB P27338 4/20 0.45
BACE1 P56817 2/20 0.44
DHFR P00374 1/20 0.44
KDM4E B2RXH2 2/20 0.42
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
ABCB1 P08183 2/20 0.41
ROCK1 Q13464 2/20 0.41
ROCK2 O75116 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
NR3C2 P08235 1/20 0.40

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
SCHEMBL7499087 0.83 LTA4H (0.43) BACE1LTA4HMAPK14ROCK1
SCHEMBL5036404 0.82 NOS2 (0.46) BACE1DHFRROCK1KCNH2NR3C2
SCHEMBL5216556 0.82 BACE1 (0.42) MAOAMAOBBACE1ROCK1ROCK2
SCHEMBL8132827 0.79 BACE1 (0.66) MAOAMAOBBACE1DHFRKDM4E
SCHEMBL5033897 0.79 HRH1 (0.52) MAOAMAOBABCB1HTR1ADRD2
SCHEMBL21463485 0.77 NPC1 (0.45) DHFRKDM4ELTA4HROCK1
SCHEMBL6031149 0.75 NOS2 (0.53) KDM4E
SCHEMBL27405845 0.75 NOS2 (0.43) BACE1KDM4E
SCHEMBL5038010 0.74 SMN1; SMN2 (0.50) LTA4HMAPK14ROCK1ROCK2KCNH2
SCHEMBL5249618 0.74 MPO (0.46) LTA4H

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-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO claimed