SCHEMBL7010191

SCHEMBL7010191

Cc1cc(NCc2c(C)cccc2C)c2nc(CO)c(C)n2c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.57
CYP2C9 P11712 19/20 0.57
CYP2D6 P10635 11/20 0.53
CYP1A2 P05177 8/20 0.53
CYP2C19 P33261 9/20 0.51
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL7499478 0.85 CYP3A4 (0.67) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7501992 0.84 CYP3A4 (0.55) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL7496730 0.84 CYP3A4 (0.65) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6354270 0.84 CYP3A4 (0.60) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6351775 0.79 CYP3A4 (0.65) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7013061 0.78 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6409624 0.78 CYP3A4 (0.58) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6354386 0.77 CYP3A4 (0.50) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6360465 0.77 CYP3A4 (0.54) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7499180 0.77 CYP3A4 (0.74) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613775-B1 8-(2,6-dimethylbenzylamino)-2-hydroxymethyl-3-methylimidazo(1, 2-a)pyridine used as antisecretory agents for prophylaxis of gastrointestinal disorders such as ulcers ASTRAZENECA AB (SE) 2003-09-02 US claimed
EP-1105390-B1 Imidazo[1,2-a]pyridine derivatives for the treatment of gastrointestinal diseases ASTRAZENECA AB (SE) 2003-06-04 EP claimed
EP-1105390-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2001-06-13 EP claimed
WO-2000010999-A2 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-03-02 WO claimed
US-6613775-B1 8-(2,6-dimethylbenzylamino)-2-hydroxymethyl-3-methylimidazo(1, 2-a)pyridine used as antisecretory agents for prophylaxis of gastrointestinal disorders such as ulcers ASTRAZENECA AB (SE) 2003-09-02 US disclosed
EP-1105390-B1 Imidazo[1,2-a]pyridine derivatives for the treatment of gastrointestinal diseases ASTRAZENECA AB (SE) 2003-06-04 EP disclosed