SCHEMBL11236617

SCHEMBL11236617

CC(C)(C)c1nc(N)c([N+](=O)[O-])cc1-c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 4/20 0.36
AHR P35869 1/20 0.36
CDC7 O00311 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
PDE7A Q13946 3/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7B Q9NP56 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DHFR P00374 1/20 0.34
PSMD14 O00487 1/20 0.34
PRKACA P17612 1/20 0.34
CASP6 P55212 1/20 0.34
POLB P06746 3/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL11235418 0.84 RAB9A (0.43) RAB9ANPC1MAPTPKN1PKN2
SCHEMBL3789859 0.80 RAB9A (0.40) RAB9ANPC1MAPTAHRCDC7
SCHEMBL3792526 0.79 RAB9A (0.45) RAB9ANPC1MAPTAHRCDC7
SCHEMBL11237967 0.78 POLB (0.39) RAB9ANPC1MAPTCDC7PKN1
SCHEMBL11238568 0.75 POLB (0.41) RAB9ANPC1MAPTCDC7MEN1
SCHEMBL11244072 0.75 NCOA1 (0.37) RAB9ANPC1MAPTCDC7DHFR
SCHEMBL11234862 0.74 POLB (0.41) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3786433 0.73 ADORA2A (0.44) RAB9ANPC1PDE4DTDP1
SCHEMBL3789867 0.72 DHFR (0.42) RAB9AMAPTPDE7APDE4BPDE4D
SCHEMBL4060442 0.72 ADK (0.42) RAB9ANPC1MAPTMEN1KMT2A

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