SCHEMBL11235404

SCHEMBL11235404

CNc1nc(-c2ccncc2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
GALR2 O43603 1/20 0.45
LMNA P02545 1/20 0.45
MAP2K3 P46734 1/20 0.43
MAPK14 Q16539 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PDE7A Q13946 3/20 0.40
MAPT P10636 3/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PRKCA P17252 1/20 0.40
PTPN1 P18031 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7B Q9NP56 1/20 0.38
TXNRD1 Q16881 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7835308 0.86 GALR2 (0.46) POLBGALR2LMNANPC1RAB9A
SCHEMBL11241875 0.84 POLB (0.47) POLBNPC1RAB9APDE7AMAPT
SCHEMBL11235055 0.84 LATS1 (0.40) POLBMAP2K3MAPK14NPC1RAB9A
SCHEMBL11238719 0.84 GAA (0.47) POLBNPC1RAB9APDE7AMAPT
SCHEMBL11233319 0.80 L3MBTL1 (0.52) POLBLMNAPDE7AMAPTPRKCA
SCHEMBL11235434 0.79 PRKCD (0.51) POLBLMNANPC1RAB9APDE7A
SCHEMBL11231846 0.79 POLB (0.52) POLBLMNARAB9APDE7AMAPT
SCHEMBL11228112 0.78 L3MBTL1 (0.47) POLBLMNANPC1RAB9AMAPT
SCHEMBL3652564 0.77 KDR (0.46) POLBGALR2LMNANPC1RAB9A
SCHEMBL11232737 0.76 PKN1 (0.44) POLBMAP2K3NPC1RAB9APDE7A

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
US-4317909-A Preparation of 1,3-dihydro-5-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones STERLING DRUG INC. (US) 1982-03-02 US disclosed
US-4294836-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