SCHEMBL3344818

SCHEMBL3344818

Nc1csc(-c2ncco2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
HPGDS O60760 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
DYRK1A Q13627 1/20 0.30
CFTR P13569 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL939897 0.73 DAO (0.41) LTA4HHPGDSKDM4BKDM5CKDM5B
SCHEMBL31734572 0.69 DYRK1A (0.50) LTA4HHPGDSDYRK1A
SCHEMBL938207 0.68 GLRA3 (0.52) LTA4HKDM5CCFTRMAPT
SCHEMBL27735339 0.68 CYP2E1 (0.42) LTA4HADORA2AADORA1HPGDSBACE1
SCHEMBL100765 0.67 HPGDS (0.46) LTA4HADORA2AADORA1HPGDSCFTR
SCHEMBL3709890 0.66 MAPK8 (0.35) LTA4HADORA2AADORA1HPGDS
SCHEMBL22698306 0.65 LTA4H (0.40) LTA4HHPGDSDYRK1AMAPT
SCHEMBL4897 0.65 ALDH1A1 (0.49) LTA4HHPGDSMAPTHSD17B10
SCHEMBL3246718 0.64 CDC7 (0.47) DYRK1AMAPTHSD17B10
SCHEMBL224239 0.64 LTA4H (0.55) LTA4HHPGDSMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045008-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed