SCHEMBL11233906

SCHEMBL11233906

O=[N+]([O-])c1cc(-c2ccncc2)cnc1NCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.45
MAPT P10636 4/20 0.45
PIK3CA P42336 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CLK4 Q9HAZ1 1/20 0.45
LMNA P02545 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11235791 0.81 CYP3A4 (0.48) MMP12MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL18172287 0.81 MAPT (0.47) MAPTPOLBPKMCYP1A2CYP2D6
SCHEMBL11230034 0.80 MAPT (0.46) MAPTPIK3CAPOLBPKMCYP1A2
SCHEMBL18181083 0.79 CYP1A2 (0.58) MAPTPIK3CAPOLBPKMCYP1A2
SCHEMBL11158275 0.79 MMP12 (0.50) MMP12MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6527214 0.79 MAPT (0.58) MAPTPIK3CAPOLBPKMCYP1A2
SCHEMBL11238534 0.79 ROCK2 (0.44) MAPTPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL11237675 0.77 PRKCD (0.46) MAPTPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL11227394 0.76 GAA (0.49) MAPTPOLBPKMCYP1A2CYP3A4
SCHEMBL11236993 0.76 ALDH1A1 (0.45) MAPTPOLBCYP1A2CYP3A4CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309537-A Production of imidazo[4,5-b]pyridin-2-ones or thiones STERLING DRUG INC. (US) 1982-01-05 US disclosed
US-4297360-A 5-(Pyridinyl)pyridine-2,3-diamines, preparation thereof and their cardiotonic use STERLING DRUG INC. (US) 1981-10-27 US disclosed
US-4294837-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US disclosed
US-4276293-A Compositions and their preparation STERLING DRUG INC. (US) 1981-06-30 US disclosed