SCHEMBL4773204

SCHEMBL4773204

CCc1cc(OC(F)(F)F)cc2[nH]c(-c3ccc(C(N)=O)cc3)c(C#N)c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 11/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
PDE2A O00408 1/20 0.34
DHODH Q02127 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE10A Q9Y233 1/20 0.34
RIPK1 Q13546 1/20 0.33
RPS27 P42677 1/20 0.33
MAPK8 P45983 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL4776654 0.88 PDE10A (0.36) PDE2ADHODHPDE4BPDE10A
SCHEMBL4780804 0.86 CHEK2 (0.36) CHEK2PDE10ARPS27MAPK8
SCHEMBL4774185 0.77 FFAR4 (0.32) PDE2ADHODHPDE4BPDE10A
SCHEMBL4779864 0.75 NOX1 (0.41) ABL1BCRPDE10A
SCHEMBL4773207 0.71 KIF11 (0.40) CHEK2SLC6A2SLC6A4ABL1BCR
SCHEMBL4778982 0.70 PSEN1 (0.36)
SCHEMBL4879715 0.68 PIM1 (0.44)
SCHEMBL4776292 0.68 PDE10A (0.38) PDE10A
SCHEMBL2881346 0.67 SLC6A2 (0.37) SLC6A2SLC6A4ABL1BCR
SCHEMBL8590356 0.65 TUBB4A (0.48) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed