SCHEMBL11244072

SCHEMBL11244072

CC(C)Cc1nc(N)c([N+](=O)[O-])cc1-c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
POLB P06746 3/20 0.37
GSK3B P49841 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
DHFR P00374 1/20 0.35
MGMT P16455 1/20 0.35
GAA P10253 1/20 0.35
CDC7 O00311 1/20 0.34
MAPT P10636 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
SCHEMBL11235025 0.85 RAB9A (0.40) NCOA1NCOA3POLBGSK3BRAB9A
SCHEMBL11238568 0.82 POLB (0.41) NCOA1NCOA3POLBGSK3BRAB9A
SCHEMBL11234862 0.81 POLB (0.41) NCOA1NCOA3POLBGSK3BRAB9A
SCHEMBL11237967 0.81 POLB (0.39) POLBRAB9ANPC1DHFRGAA
SCHEMBL3789859 0.77 RAB9A (0.40) POLBRAB9ANPC1DHFRCDC7
SCHEMBL3792526 0.76 RAB9A (0.45) NCOA1NCOA3POLBRAB9ANPC1
SCHEMBL11236617 0.75 RAB9A (0.38) POLBRAB9ANPC1DHFRGAA
SCHEMBL11235965 0.72 PDE3B (0.43) POLBGSK3BRAB9ACDC7
SCHEMBL4060442 0.72 ADK (0.42) RAB9ANPC1DHFRGAAMAPT
SCHEMBL3788901 0.72 ADORA2B (0.37) RAB9ANPC1DHFRCDC7MAPT

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