SCHEMBL5766577

SCHEMBL5766577

CC(CO)NCCn1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.48
TBXAS1 P24557 6/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
FDPS P14324 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
SCHEMBL19091362 0.85 TBXAS1 (0.47) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL7609694 0.83 QPCT (0.50) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL278416 0.82 QPCT (0.53) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL20987982 0.76 TBXAS1 (0.49) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL4681306 0.73 FDPS (0.50) QPCTTBXAS1ALDH1A1FDPS
SCHEMBL9241540 0.73 TBXAS1 (0.50) QPCTTBXAS1EGLN3ALDH1A1
SCHEMBL10240737 0.72 QPCT (0.61) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL46694 0.72
SCHEMBL10311722 0.72 QPCT (0.50) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL5766575 0.72 QPCT (0.38) QPCTTBXAS1EGLN3ALDH1A1FDPS

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
EP-1625126-A1 IMIDAZO AND THIAZOLOPYRIDINES AS JAK3 KINASE INHIBITORS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099204-A1 IMIDAZO AND THIAZOLOPYRIDINES AS JAK3 KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-11-18 WO disclosed