SCHEMBL7019102

SCHEMBL7019102

CSc1nc2[nH]ccc2c(=O)n1C(C)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.35
JAK1 P23458 6/20 0.35
TYK2 P29597 6/20 0.35
JAK2 O60674 6/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DYRK1A Q13627 1/20 0.31
TTK P33981 1/20 0.31
LRRK2 Q5S007 2/20 0.30
LMNA P02545 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
SCHEMBL7019103 0.73 ALDH1A1 (0.49) JAK3JAK1TYK2JAK2MAPT
SCHEMBL7018141 0.69 MAPK1 (0.40) JAK2ADORA2AADORA1MAPTNPSR1
SCHEMBL13257531 0.69 LMNA (0.44) ADORA2AADORA1LMNA
SCHEMBL7010831 0.67 ALDH1A1 (0.42) ADORA2AADORA1NPSR1
SCHEMBL13258438 0.64 LMNA (0.40) ADORA2AADORA1MAPTLMNA
SCHEMBL13266358 0.61 LMNA (0.45) MAPTLMNA
SCHEMBL28907542 0.61 JAK3 (0.43) JAK3JAK1JAK2ADORA2AADORA1
SCHEMBL2564399 0.61 FADS1 (0.48) MAPTLMNA
SCHEMBL7015802 0.60 NEK1 (0.39) JAK3JAK1TYK2JAK2ADORA2A
SCHEMBL13257642 0.59 PDE7A (0.51) MAPTNPSR1LMNA

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-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed