SCHEMBL4753596

SCHEMBL4753596

Nc1c(-c2cnns2)ccnc1-c1cnns1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
RUNX1 Q01196 2/20 0.42
CBFB Q13951 2/20 0.42
GFER P55789 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
SCHEMBL4753598 0.74 CNR2 (0.37) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL2660255 0.70 ALDH1A1 (0.43) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL28767925 0.68 DYRK1A (0.42) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL4965328 0.68
SCHEMBL6993258 0.67 ALDH1A1 (0.47) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL21241349 0.64 ALDH1A1 (0.44) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL2348958 0.63
SCHEMBL224905 0.62 APP (0.48) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL22014607 0.61 ALDH1A1 (0.39) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL22015413 0.59 HPGDS (0.37) ALDH1A1GAAMAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954696-A2 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS Bristol-Myers Squibb Company (US) 2008-08-13 EP disclosed
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 WO disclosed
WO-2006078621-A2 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 WO disclosed