SCHEMBL171816

SCHEMBL171816

C[C@@H](CC#N)c1cncc(SC2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
LNPEP Q9UIQ6 1/20 0.34
AR P10275 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
SCHEMBL12309896 1.00 MAOA (0.39) MAOAMAOBLNPEPAR
SCHEMBL12251308 0.89 MAOA (0.38) MAOAMAOBLNPEP
SCHEMBL19062139 0.85 MAOA (0.37) MAOAMAOBLNPEP
SCHEMBL13540976 0.76 AR (0.32) AR
SCHEMBL12303213 0.75 MAPK1 (0.33)
SCHEMBL9921759 0.75 CTSL (0.36) MAOAMAOB
SCHEMBL12304994 0.73
SCHEMBL12302997 0.72 NAMPT (0.34)
SCHEMBL13541201 0.70 FBP1 (0.33)
SCHEMBL12303184 0.68 CYP19A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
EP-2455382-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-05-23 EP disclosed
EP-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 EP disclosed
EP-2343298-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed