SCHEMBL7010258

SCHEMBL7010258

Cc1cccc(C)c1CNc1cccn2c(CO)c(CO)nc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.53
CYP2C9 P11712 17/20 0.53
CYP2D6 P10635 9/20 0.53
CYP1A2 P05177 8/20 0.53
CYP2C19 P33261 8/20 0.53
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39

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
SCHEMBL7492158 0.90 CYP3A4 (0.61) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6354270 0.89 CYP3A4 (0.60) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7145792 0.82 CYP3A4 (0.45) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL1816283 0.81 CYP3A4 (0.54) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7013524 0.80 CYP3A4 (0.76) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6353615 0.80 CYP3A4 (0.68) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6354849 0.80 CYP3A4 (0.61) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6356155 0.79 CYP3A4 (0.58) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7498616 0.78 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7016930 0.78 CYP3A4 (0.56) 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