SCHEMBL7780155

SCHEMBL7780155

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.38
IDO1 P14902 2/20 0.36
S1PR1 P21453 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
NR3C2 P08235 1/20 0.33
AURKA O14965 4/20 0.32
RPS6KB1 P23443 4/20 0.32
AURKB Q96GD4 2/20 0.32
GRIN2B Q13224 1/20 0.32
KCNN4 O15554 2/20 0.32
BRAF P15056 1/20 0.31
PLA2G7 Q13093 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
SCHEMBL7776059 0.94 CNR2 (0.33) PYCR1S1PR1TRPM8NR3C2GRIN2B
SCHEMBL7780176 0.94 NR3C2 (0.36) TRPM8NR3C2RPS6KB1GRIN2B
SCHEMBL7776068 0.90 PYCR1 (0.38) PYCR1IDO1S1PR1KDM4AKDM5A
SCHEMBL7776065 0.84 S1PR1 (0.41) PYCR1S1PR1
SCHEMBL7780184 0.83 KDR (0.40)
SCHEMBL7782558 0.77 FFAR1 (0.33) GRIN2B
SCHEMBL7781138 0.77 KDR (0.42) BRAFPLA2G7
SCHEMBL7776101 0.77 KDR (0.42) BRAFPLA2G7
SCHEMBL7780260 0.76 RXRA (0.43) BRAF
SCHEMBL7781130 0.76 NR3C2 (0.33) TRPM8NR3C2GRIN2B

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 5 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
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