SCHEMBL6068635

SCHEMBL6068635

Cc1nc(Nc2nc(N(C)Cc3cccnc3)cc(N3CCOCC3)n2)sc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.49
NAPEPLD Q6IQ20 5/20 0.43
PIK3CB P42338 6/20 0.42
PIK3CA P42336 4/20 0.41
PIK3CD O00329 2/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
DGAT1 O75907 1/20 0.38
EPHB4 P54760 1/20 0.38

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
SCHEMBL291617 0.91 PDE5A (0.59) PDE5A
SCHEMBL291292 0.90 PDE5A (0.54) PDE5ANAPEPLD
SCHEMBL291289 0.89 PDE5A (0.48) PDE5ANAPEPLD
SCHEMBL300239 0.89 PDE5A (0.49) PDE5ANAPEPLD
SCHEMBL289912 0.85 PDE5A (0.46) PDE5A
SCHEMBL290607 0.85 PDE5A (0.44) PDE5A
SCHEMBL2696718 0.84 PDE5A (0.52) PDE5APKM
SCHEMBL291755 0.83 PDE5A (0.56) PDE5ANAPEPLD
SCHEMBL290600 0.83 PDE5A (0.64) PDE5ANAPEPLDPKM
SCHEMBL26647589 0.83 PIK3CA (0.51) PDE5APIK3CBPIK3CAPIK3CDTSHR

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
US-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 US disclosed