SCHEMBL7012733

SCHEMBL7012733

CCOC(=O)c1nc2c(NCc3c(C)cccc3C)cccn2c1C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
CYP2C9 P11712 10/20 0.54
CYP3A4 P08684 9/20 0.54
CYP2D6 P10635 7/20 0.54
CYP1A2 P05177 7/20 0.54
CYP2C19 P33261 6/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
HCRTR1 O43613 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39
GLA P06280 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
SCHEMBL6433684 0.90 SMN1; SMN2 (0.70) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL6360390 0.90 CYP3A4 (0.59) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL7009452 0.84 CYP3A4 (0.70) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL6356136 0.81 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL7496961 0.80 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL6356150 0.79 CYP3A4 (0.68) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL7495170 0.79 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL7013061 0.79 CYP3A4 (0.51) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL6353230 0.78 CYP3A4 (0.61) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL5633681 0.78 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C9CYP3A4CYP2D6CYP1A2

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-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
EP-1105390-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2001-06-13 EP disclosed
WO-2000010999-A2 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-03-02 WO disclosed