SCHEMBL4355585

SCHEMBL4355585

NC(=O)c1cn(-c2cnccn2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.55
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
ADORA3 P0DMS8 1/20 0.38
TSHR P16473 1/20 0.38
MC4R P32245 1/20 0.38
ADRA1A P35348 1/20 0.38
MC3R P41968 1/20 0.38
NR4A2 P43354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL15557435 0.88 HTR3A (0.56) HTR3AKDM4ENR4A2
SCHEMBL17176399 0.86 HTR3A (0.57) HTR3AKDM4EHTTTSHRNR4A2
SCHEMBL17170671 0.83 HTR3A (0.57) HTR3AHTTTSHRNR4A2L3MBTL1
SCHEMBL19969879 0.83 HTR3A (0.54) HTR3ATSHRL3MBTL1
SCHEMBL4368383 0.83 PDE4A (0.47) HTR3AKDM4EHTT
SCHEMBL30417766 0.82 HTR3A (0.51) HTR3AKDM4E
SCHEMBL4351538 0.79 HTR3A (0.50) HTR3AKDM4ENR4A2L3MBTL1
SCHEMBL21249088 0.76 RPS6KA5 (0.45) KDM4EL3MBTL1CDC7CDK2
SCHEMBL30647411 0.76 RPS6KA5 (0.45) KDM4EL3MBTL1CDC7CDK2
SCHEMBL30416390 0.75 HTR3A (0.52) HTR3AKDM4ETSHRL3MBTL1CDK2

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-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed