SCHEMBL17067693

SCHEMBL17067693

Cc1ncc(-c2ccc(C(F)(F)F)nc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.44
KCNH2 Q12809 3/20 0.44
PI4KB Q9UBF8 2/20 0.44
MAP4K4 O95819 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
PIK3CD O00329 2/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
CASP3 P42574 1/20 0.41
TRPV3 Q8NET8 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MTOR P42345 2/20 0.39
SLC34A1 Q06495 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL14934092 0.78 CYP11B2 (0.55) PIK3CDPDE10A
SCHEMBL14934100 0.78 PIK3CD (0.50) PIK3CDPDE10A
SCHEMBL19998622 0.76 PDGFRB (0.44) MAP4K4PTGS2
SCHEMBL16635368 0.75 PIK3CA (0.49) PIK3CAKCNH2PI4KBMAP4K4MINK1
SCHEMBL16068089 0.72 PIK3CD (0.47) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL13036072 0.72 AR (0.48) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL28242154 0.72 PIK3CA (0.47) PIK3CAKCNH2PI4KBMAP4K4MINK1
SCHEMBL16906525 0.72 PIK3CB (0.50) PIK3CAKCNH2PI4KBMAP4K4MINK1
SCHEMBL14934093 0.72 PIK3CA (0.52) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL17067718 0.72 TRPM8 (0.36) PIK3CAKCNH2PI4KBMAP4K4MINK1

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-2773631-B1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-09-09 EP disclosed