SCHEMBL7690601

SCHEMBL7690601

COc1cc(-c2nn(C)c(C#N)c2C)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.39
HSP90AA1 P07900 5/20 0.39
SRC P12931 3/20 0.36
PDE10A Q9Y233 4/20 0.35
PDE2A O00408 3/20 0.35
PPOX P50336 1/20 0.32
MAPK10 P53779 1/20 0.31
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
PDE4D Q08499 1/20 0.31
BUB1 O43683 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
KCNH2 Q12809 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
SCHEMBL7489274 0.89 HSP90AB1 (0.38) HSP90AB1HSP90AA1SRCPDE10APDE2A
SCHEMBL7686734 0.89 HSP90AB1 (0.49) HSP90AB1HSP90AA1SRCPDE10APDE2A
SCHEMBL7692799 0.84 PGK1 (0.38)
SCHEMBL7688339 0.82 LMNA (0.32) PDE10A
SCHEMBL7687809 0.82 AR (0.33) PDE10A
SCHEMBL7686737 0.82 PDE10A (0.30) PDE10A
SCHEMBL8035641 0.79 HSP90AA1 (0.34) HSP90AB1HSP90AA1PDE10APDE2APPOX
SCHEMBL7694533 0.79 NTRK1 (0.35) PDE4D
SCHEMBL7690605 0.77 HSD11B1 (0.39) PDE2AUSP8USP7
SCHEMBL7693977 0.76 MAPT (0.40) HSP90AB1HSP90AA1

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
US-6339046-B1 FOR CONTROLLING WEEDS SYNGENTA INVESTMENT CORPORATION 2002-01-15 US disclosed
EP-0839808-A1 Pyrazole derivatives, processes for their preparation, and their use as herbicides Novartis AG (CH) 1998-05-06 EP disclosed