SCHEMBL7776101

SCHEMBL7776101

CN(c1ccc(Cl)c(C(F)(F)F)c1)c1cc(Oc2ccc(F)c(C(F)(F)F)c2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.42
PLA2G7 Q13093 7/20 0.40
RAF1 P04049 5/20 0.40
MAPK3 P27361 4/20 0.40
BRAF P15056 3/20 0.40
SCN9A Q15858 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7781138 1.00 KDR (0.42) KDRPLA2G7RAF1MAPK3BRAF
SCHEMBL7781098 0.95 KDR (0.40) KDRPLA2G7RAF1MAPK3BRAF
SCHEMBL7048715 0.94 KDR (0.40) KDRPLA2G7BRAFHTR2ASLC6A4
SCHEMBL7780252 0.84 KDR (0.48) KDRRAF1MAPK3BRAFHTR2A
SCHEMBL679527 0.84 KDR (0.49) KDRPLA2G7RAF1MAPK3BRAF
SCHEMBL7780255 0.83 KDR (0.46) KDRBRAF
SCHEMBL7776073 0.83 KDR (0.48) KDRRAF1BRAF
SCHEMBL7782975 0.81 RAF1 (0.39) KDRPLA2G7RAF1MAPK3BRAF
SCHEMBL7783034 0.81 RAF1 (0.42) KDRPLA2G7RAF1MAPK3BRAF
SCHEMBL7780165 0.79 KMO (0.52) KDRBRAFHTR2ASLC6A4KCNH2

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