SCHEMBL9044787

SCHEMBL9044787

Nc1ncc(Cc2ccccc2)c(N)c1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
DHFR P00374 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
SCHEMBL9042020 0.91 ROCK1 (0.42) AOC3DHFR
SCHEMBL28239209 0.87 AOC3 (0.46) AOC3DHFR
SCHEMBL28996034 0.79 ALDH1A1 (0.56) DHFR
SCHEMBL29687392 0.79 ALDH1A1 (0.56) DHFR
SCHEMBL16486606 0.79 AOC3 (0.42) AOC3
SCHEMBL22129318 0.78 KMT2A (0.43)
SCHEMBL28238100 0.74 HTT (0.49)
SCHEMBL28807545 0.74 AOC3 (0.41) AOC3
SCHEMBL21801032 0.74 AOC3 (0.45) AOC3
SCHEMBL30335299 0.74 AOC3 (0.45) AOC3

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-0708772-A1 IMIDAZO [4,5-c]PYRIDIN-4-AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP disclosed
WO-1995002597-A1 IMIDAZO[4,5-c]PYRIDIN-4-AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed