SCHEMBL5247113

SCHEMBL5247113

Nc1nccc(Cc2cc(-c3ccc4cc[nH]c4c3)ccc2OCc2ccccc2)c1N

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.67
▸ TNK2 Q07912 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ MPO P05164 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35

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
SCHEMBL8264955 0.80 BACE1 (1.00) BACE1TNK2LTA4HMAPK14ADORA2A
SCHEMBL5244112 0.80 CYP11B1 (0.52) BACE1LTA4HMAPK14
SCHEMBL5215267 0.78 ABCB1 (0.47) BACE1
SCHEMBL5214956 0.77 CCR5 (0.52) LTA4HMAPK14
SCHEMBL5215584 0.74 LTA4H (0.45) LTA4HMAPK14ALOX5AP
SCHEMBL8265056 0.74 BACE1 (0.88) BACE1TNK2LTA4HMAPK14
SCHEMBL8265032 0.72 BACE1 (0.85) BACE1
SCHEMBL4934023 0.72 BACE1 (0.52) BACE1TNK2ADORA2AADORA1ENPP2
SCHEMBL8265066 0.70 BACE1 (1.00) BACE1TNK2
SCHEMBL6669227 0.69 ENPP2 (0.48) BACE1ADORA2AENPP2ALOX5AP

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
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