SCHEMBL7780176

SCHEMBL7780176

CN(c1ccc(F)c(C(F)(F)F)c1)c1cc(Cc2ccc(F)c(C(F)(F)F)c2)ncn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.36
RPS6KB1 P23443 1/20 0.34
AR P10275 1/20 0.33
SLC6A9 P48067 3/20 0.33
KCNH2 Q12809 3/20 0.33
GPR52 Q9Y2T5 1/20 0.33
GRIN2B Q13224 3/20 0.32
CYP3A4 P08684 2/20 0.32
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
SLC6A5 Q9Y345 1/20 0.32
PTPN7 P35236 3/20 0.32
DUSP3 P51452 3/20 0.32
KMO O15229 1/20 0.32
KDR P35968 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
CYP2D6 P10635 1/20 0.32
P2RX7 Q99572 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
SCHEMBL7780155 0.94 PYCR1 (0.38) NR3C2RPS6KB1GRIN2BTRPM8
SCHEMBL7776059 0.91 CNR2 (0.33) NR3C2KCNH2GRIN2BRXRATRPM8
SCHEMBL7780184 0.89 KDR (0.40) GPR52RXRAKDR
SCHEMBL7776068 0.83 PYCR1 (0.38) KCNH2RXRA
SCHEMBL7781130 0.81 NR3C2 (0.33) NR3C2ARSLC6A9KCNH2GPR52
SCHEMBL7776065 0.77 S1PR1 (0.41) GPR52RXRAKDR
SCHEMBL7782554 0.75 EGFR (0.45) GPR52RXRAKDR
SCHEMBL7782558 0.74 FFAR1 (0.33) GRIN2BRXRAGRIN1
SCHEMBL7048715 0.74 KDR (0.40) KCNH2KDR
SCHEMBL7776084 0.71 NR3C2 (0.45) NR3C2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972770-B1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof BASF AG (DE) 2001-09-19 EP claimed
US-6281219-B1 4,6-BIS-ARYL-PYRIMIDINES WHEREIN THE AROMATIC GROUPS ARE ATTACHED VIA TWO LINKING GROUPS WHICH ARE DIFFERENT FROM ONE ANOTHER. AMERICAN CYANAMID CO. 2001-08-28 US claimed
EP-0972770-A1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof American Cyanamid Company (US) 2000-01-19 EP claimed
EP-0972770-B1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof BASF AG (DE) 2001-09-19 EP disclosed
US-6281219-B1 4,6-BIS-ARYL-PYRIMIDINES WHEREIN THE AROMATIC GROUPS ARE ATTACHED VIA TWO LINKING GROUPS WHICH ARE DIFFERENT FROM ONE ANOTHER. AMERICAN CYANAMID CO. 2001-08-28 US disclosed
EP-0972770-A1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof American Cyanamid Company (US) 2000-01-19 EP disclosed