SCHEMBL6510167

SCHEMBL6510167

COc1ncc(-c2c(-c3ccccc3Cl)nn3c(=O)n(CC(F)(F)F)c(C)nc23)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
MDM2 Q00987 12/20 0.34
TP53 P04637 1/20 0.33
BRD4 O60885 3/20 0.32
BRD2 P25440 3/20 0.32
BRD3 Q15059 3/20 0.32
CREBBP Q92793 2/20 0.32
METAP2 P50579 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL6509571 0.82 PIK3CA (0.44) CNR1CYP1A2CYP3A4CYP2C9EGFR
SCHEMBL6510956 0.81 CNR1 (0.42) CNR1METAP2
SCHEMBL6509849 0.80 CNR1 (0.51) CNR1
SCHEMBL6510280 0.79 CNR1 (0.38) CNR1METAP2
SCHEMBL6506306 0.77 CNR1 (0.39) CNR1
SCHEMBL6517585 0.77 CNR1 (0.43) CNR1CYP1A2CYP3A4CYP2C19
SCHEMBL6508430 0.73 CNR1 (0.44) CNR1
SCHEMBL6509276 0.73 CNR1 (0.39) CNR1USP2
SCHEMBL6509280 0.73 CNR1 (0.39) CNR1USP2
SCHEMBL6514331 0.72 CNR1 (0.42) CNR1

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