SCHEMBL5247804

SCHEMBL5247804

NC(=O)c1c(N)c(C(F)(F)F)nn1CCOCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RECQL P46063 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
SCHEMBL5243756 0.88 LMNA (0.33) LMNAGAAKDM4ERECQL
SCHEMBL4039900 0.86 GAA (0.37) GAACACNA1GCACNA1HCACNA1I
SCHEMBL8263440 0.83 PDE5A (0.35) CACNA1GCACNA1HCACNA1I
SCHEMBL8262535 0.81 LMNA (0.38) LMNAGAAKDM4ERECQL
SCHEMBL332176 0.81 CACNA1G (0.33) GAACACNA1GCACNA1HCACNA1IKDM4E
SCHEMBL4039997 0.73 POLB (0.44) LMNA
SCHEMBL8262515 0.71 SMN1; SMN2 (0.46) CACNA1GCACNA1HCACNA1I
SCHEMBL333030 0.70 SMN1; SMN2 (0.38) CACNA1GCACNA1HCACNA1I
SCHEMBL8294512 0.70 CACNA1G (0.32) CACNA1GCACNA1HCACNA1I
SCHEMBL332149 0.70 KDM4E (0.30) KDM4E

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-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 EP disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO disclosed