SCHEMBL6167315

SCHEMBL6167315

CC(=O)c1c(-c2cccc(F)c2)nn(CC2CC2)c(=O)c1Nc1ccc(CO)cc1.CC(=O)c1c(-c2cccc(F)c2)nn(CC2CC2)c(=O)c1Nc1cccc(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.44
BRD4 O60885 11/20 0.43
CREBBP Q92793 11/20 0.43
MERTK Q12866 2/20 0.37
EP300 Q09472 4/20 0.37
CCR3 P51677 1/20 0.36
CSNK1E P49674 2/20 0.35
PTGIR P43119 1/20 0.35
CSNK1D P48730 1/20 0.35

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
SCHEMBL4708697 0.94 BRD4 (0.46) PDE4BBRD4CREBBPMERTKEP300
SCHEMBL4708743 0.92 PDE4B (0.49) PDE4BBRD4CREBBPMERTKPTGIR
SCHEMBL4708332 0.87 PDE4B (0.46) PDE4BBRD4CREBBPEP300CCR3
SCHEMBL4896402 0.84 PDE4A (0.47) PDE4BBRD4CREBBPEP300PTGIR
SCHEMBL4705775 0.83 PDE4B (0.58) PDE4BCSNK1ECSNK1D
SCHEMBL4706429 0.83 PDE4B (0.49) PDE4BBRD4CREBBPMERTKPTGIR
SCHEMBL4708371 0.82 PDE4B (0.54) PDE4BBRD4CREBBPEP300PTGIR
SCHEMBL4707908 0.82 PDE4B (0.61) PDE4BBRD4CREBBPEP300PTGIR
SCHEMBL4707445 0.82 PDE4B (0.62) PDE4BBRD4CREBBP
SCHEMBL4707025 0.81 PDE4B (0.52) PDE4BBRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 WO disclosed