SCHEMBL18896284

SCHEMBL18896284

CCCC(C)Cc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
FOLH1 Q04609 1/20 0.47
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 1/20 0.41
SCN8A Q9UQD0 1/20 0.40
MAOB P27338 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
IDH1 O75874 1/20 0.38
S1PR1 P21453 1/20 0.38
DRD3 P35462 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL18648975 0.87 GLA (0.54) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL20170038 0.87 GLA (0.54) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL22296455 0.82 GLA (0.53) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL2660512 0.81 GLA (0.58) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL19407082 0.80 CYP2A6 (0.53) SLC6A2SLC6A4SLC6A3MAOBCYP19A1
SCHEMBL5262783 0.80 GLA (0.57) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL4496028 0.80 GLA (0.57) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL21316490 0.78 GLA (0.55) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL28046794 0.78 GLA (0.55) GLAFOLH1SLC6A2SLC6A4SLC6A3
SCHEMBL19954266 0.77 GLA (0.48) GLAFOLH1SLC6A2SLC6A4SLC6A3

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
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 US disclosed