SCHEMBL6506306

SCHEMBL6506306

Cc1nc2c(-c3ccc(Cl)s3)c(-c3ccccc3Cl)nn2c(=O)n1CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
FAAH O00519 1/20 0.34
GNRHR P30968 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AVPR2 P30518 3/20 0.32
AVPR1A P37288 3/20 0.32
TDP1 Q9NUW8 2/20 0.31
CRHR1 P34998 1/20 0.31
CSNK1E P49674 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
CDK9 P50750 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 1/20 0.31
DYRK2 Q92630 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK4 Q9NR20 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
SCHEMBL6509849 0.84 CNR1 (0.51) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL6510956 0.81 CNR1 (0.42) CNR1AVPR2AVPR1ACRHR1CSNK1E
SCHEMBL6517585 0.81 CNR1 (0.43) CNR1MEN1KMT2AAVPR2AVPR1A
SCHEMBL6510280 0.80 CNR1 (0.38) CNR1CRHR1MAT2A
SCHEMBL6509571 0.78 PIK3CA (0.44) CNR1AVPR1AADORA2AADORA2BADORA1
SCHEMBL6508430 0.77 CNR1 (0.44) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL6510167 0.77 CNR1 (0.36) CNR1
SCHEMBL6509280 0.77 CNR1 (0.39) CNR1MEN1KMT2AAVPR2AVPR1A
SCHEMBL6509276 0.77 CNR1 (0.39) CNR1MEN1KMT2AAVPR2AVPR1A
SCHEMBL6514331 0.76 CNR1 (0.42) CNR1AVPR2AVPR1AADORA2AADORA2B

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
WO-2005049615-A1 PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-06-02 WO claimed
WO-2005049615-A1 PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-06-02 WO disclosed