SCHEMBL9042020

SCHEMBL9042020

Nc1ncc(Cc2ccccc2)c(N)c1Cc1ccccc1.c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BACE1 P56817 1/20 0.38
PKM P14618 1/20 0.37
BCHE P06276 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DHFR P00374 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
SCHEMBL9044787 0.91 AOC3 (0.42) AOC3DHFR
SCHEMBL28239209 0.79 AOC3 (0.46) AOC3DHFR
SCHEMBL29687392 0.72 ALDH1A1 (0.56) PKMCYP2D6DHFR
SCHEMBL28996034 0.72 ALDH1A1 (0.56) PKMCYP2D6DHFR
SCHEMBL16486606 0.71 AOC3 (0.42) AOC3MEN1KMT2AHSD17B10
SCHEMBL22129318 0.70 KMT2A (0.43) MEN1KMT2ATDP1HSD17B10
Diphenylmethane SCHEMBL11159603 0.69 MEN1 (0.67) MEN1KMT2ATDP1PKMBCHE
SCHEMBL28238100 0.68 HTT (0.49) MEN1KMT2A
SCHEMBL21801032 0.67 AOC3 (0.45) AOC3CYP2D6
SCHEMBL28807545 0.67 AOC3 (0.41) 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