SCHEMBL4235315

SCHEMBL4235315

COc1ccc(C2(C#N)CCc3n[nH]cc3C2)c2ccn(C)c12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 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
SCHEMBL4228415 0.82 MAP4K1 (0.31) —
SCHEMBL4235159 0.81 HTR6 (0.34) —
SCHEMBL4062215 0.80 KDR (0.34) —
SCHEMBL4236835 0.79 PRKCQ (0.30) —
SCHEMBL4053970 0.78 KDM4E (0.31) —
SCHEMBL4058080 0.77 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL4016579 0.74 MAOA (0.33) PDE4B
SCHEMBL4233727 0.74 KDR (0.30) —
SCHEMBL4241625 0.70 PDE4B (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL4234336 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO claimed
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO disclosed
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO disclosed
Send feedback