SCHEMBL21722336

SCHEMBL21722336

NC(=O)c1nccnc1C1CCCOC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.34
BTK Q06187 3/20 0.33
MAPK8 P45983 4/20 0.33
MAPK9 P45984 4/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
PDE10A Q9Y233 2/20 0.31
GRM4 Q14833 2/20 0.31
GCK P35557 2/20 0.31
MAPK10 P53779 3/20 0.31

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
SCHEMBL21722439 0.91 PDE10A (0.34) OPRM1BTKPRKAB2PRKAG1PRKAA2
SCHEMBL30060533 0.84 ADORA3 (0.32) BTK
SCHEMBL28266320 0.82 OPRM1 (0.35) OPRM1BTKPDE10A
SCHEMBL23044164 0.81 PDE10A (0.40) PDE10A
SCHEMBL1535205 0.79 PRKCI (0.36) OPRM1PDE10A
SCHEMBL3462773 0.73 KDM4E (0.44)
SCHEMBL3460358 0.73 KDM4E (0.44)
SCHEMBL3460565 0.73 KDM4E (0.44)
SCHEMBL16597929 0.70
SCHEMBL3462384 0.70 PARP1 (0.41)

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-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 EP claimed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO claimed