Sugi Predict

Sugi Predict / Compounds / SCHEMBL2830737

SCHEMBL2830737

SCHEMBL2830737

CCn1nc(-c2cccc(-c3cc(C(=O)NC4CC4)ccc3OCCCCCN(C)C)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.72
▸ ADORA1 P30542 11/20 0.72
▸ ADORA2B P29275 7/20 0.72
▸ ADORA2A P29274 5/20 0.72
▸ PDE4A P27815 2/20 0.61
▸ PDE4C Q08493 2/20 0.61
▸ PDE4D Q08499 2/20 0.61

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
SCHEMBL2832232 0.89 PDE4B (0.62) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2831980 0.89 PDE4B (0.74) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2825725 0.89 PDE4B (0.83) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2831991 0.88 PDE4B (0.71) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2832073 0.86 PDE4B (0.77) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2829778 0.85 PDE4B (0.84) PDE4BADORA1ADORA2BADORA2A
SCHEMBL2833610 0.85 PDE4B (0.82) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2830430 0.85 PDE4B (0.82) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2823346 0.84 PDE4B (0.86) PDE4BADORA1ADORA2BADORA2APDE4A
SCHEMBL2823617 0.84 PDE4B (1.00) PDE4BADORA1ADORA2BADORA2A

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-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 — — WO claimed