SCHEMBL11244037

SCHEMBL11244037

CCCCCc1ncc(N)cc1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
GSK3B P49841 3/20 0.40
CDC7 O00311 2/20 0.40
ROCK2 O75116 2/20 0.40
MAP4K4 O95819 2/20 0.40
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
CDK2 P24941 2/20 0.40

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
SCHEMBL11240217 0.95 CYP3A4 (0.41) KDM4ERAB9AALDH1A1MAPTHSD17B10
SCHEMBL11243532 0.91 NTRK1 (0.38) KDM4ERAB9AALDH1A1MAPTHSD17B10
SCHEMBL11238028 0.78 NTRK1 (0.37) CYP3A4GSK3BNTRK1IMPDH2FYN
SCHEMBL11074069 0.73 GABRP (0.47) KDM4ERAB9AALDH1A1MAPTHSD17B10
SCHEMBL11236122 0.73 FYN (0.45) IRAK4NTRK1IMPDH2FYNAURKB
SCHEMBL11236724 0.71 GSK3B (0.38) KDM4ERAB9AALDH1A1MAPTHPGD
SCHEMBL24115201 0.70 TDP1 (0.46) KDM4ERAB9AALDH1A1MAPTHSD17B10
SCHEMBL30574023 0.70 CYP3A4 (0.42) KDM4ERAB9AALDH1A1MAPTHSD17B10
SCHEMBL11234862 0.70 POLB (0.41) RAB9AALDH1A1MAPTMEN1GAA
SCHEMBL11228166 0.69 NTRK1 (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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