SCHEMBL11241124

SCHEMBL11241124

Cc1cnccc1-c1ccc(N)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
CYP19A1 P11511 1/20 0.40
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
MAP4K1 Q92918 3/20 0.39
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IMPDH2 P12268 3/20 0.35
GRM4 Q14833 1/20 0.35
LATS1 O95835 3/20 0.35
LATS2 Q9NRM7 1/20 0.35
ABL1 P00519 1/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL11225157 0.79 CCNC (0.39) MAP4K1CCNCCDK8CYP1A2CYP3A4
SCHEMBL11240173 0.77 ROCK2 (0.38) ROCK2CYP19A1PRKCHPRKCEPRKCQ
SCHEMBL11241761 0.77 ALDH1A1 (0.30) TDP1CYP3A4
SCHEMBL11378192 0.76 ROCK2 (0.42) ROCK2CYP19A1PRKCHPRKCEPRKCQ
SCHEMBL6634764 0.76 PRKCH (0.57) ROCK2PRKCHPRKCEPRKCQPRKCD
SCHEMBL18034738 0.74 ROCK2 (0.41) ROCK2CYP19A1PRKCHPRKCEPRKCQ
SCHEMBL15771446 0.74 CCNC (0.46) ROCK2CYP19A1CCNCCDK8SIRT3
SCHEMBL20632129 0.72 ABL1 (0.43) MAP4K1ABL1PDE2APDE10ACYP1A2
SCHEMBL3423341 0.72 CCNC (0.50) CYP19A1CCNCCDK8SIRT3TDP1
SCHEMBL16040917 0.72 CCNC (0.45) ROCK2CYP19A1CCNCCDK8SIRT3

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