SCHEMBL10057773

SCHEMBL10057773

Cc1ccc(-n2nc(C(C)(C)C)c3c2C(=O)N(c2ccc(-n4ccccc4=O)cc2)CC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.50
PDE4B Q07343 4/20 0.50
PDE4C Q08493 4/20 0.50
PDE4D Q08499 4/20 0.50
F10 P00742 16/20 0.48
F2 P00734 3/20 0.46

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
SCHEMBL541689 0.82 F10 (0.61) F10F2
SCHEMBL2003465 0.79 F10 (0.45) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL1996016 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL2003019 0.75 F10 (0.50) F10F2
SCHEMBL3885017 0.75 F10 (0.56) F10F2
SCHEMBL1995599 0.75 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL5303876 0.75 F10 (0.53) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL1995326 0.74 F10 (0.72) F10F2
SCHEMBL1997211 0.74 F10 (0.49) F10F2
SCHEMBL1996465 0.74 F10 (0.59) PDE4APDE4BPDE4CPDE4DF10

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
EP-2105436-B1 Lactam-containing compounds and derivatives thereof as factor XA inhibitors BRISTOL MYERS SQUIBB CO (US) 2012-02-08 EP disclosed