SCHEMBL11233804

SCHEMBL11233804

CCCCCCNc1ncc(-c2cccnc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.53
CYP3A4 P08684 2/20 0.45
CYP19A1 P11511 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TLR8 Q9NR97 3/20 0.43
TLR7 Q9NYK1 3/20 0.43
CNR2 P34972 3/20 0.43
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GRM5 P41594 1/20 0.41
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
SOAT1 P35610 2/20 0.40
CYP1A2 P05177 1/20 0.40
CNR1 P21554 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 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
SCHEMBL11172770 0.90 GRM5 (0.44) GBA1CYP3A4CYP19A1CYP2D6CYP2C9
SCHEMBL11231162 0.85 LATS1 (0.49) GBA1CYP3A4CYP2D6TLR8TLR7
SCHEMBL11237964 0.81 GBA1 (0.48) GBA1CYP3A4CYP19A1CYP2D6CYP2C9
SCHEMBL11183165 0.77 TLR8 (0.38) TLR8TLR7
SCHEMBL7609532 0.72 GBA1 (0.55) GBA1CYP3A4CYP19A1CYP2D6CYP2C9
SCHEMBL11166614 0.72 KDM4E (0.61)
SCHEMBL11233955 0.72 GSK3B (0.45) GBA1CYP3A4CYP19A1CYP2D6CYP2C9
SCHEMBL11232478 0.70 PRKCD (0.51) AXLLATS1LATS2CYP1A2
SCHEMBL11227751 0.70 AURKA (0.45) CYP3A4CYP2D6CYP2C9
SCHEMBL11240469 0.70 AURKA (0.51) CYP3A4CYP2D6TLR7CYP1A2LMNA

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