SCHEMBL7783732

SCHEMBL7783732

Fc1ccc(Cc2cc(Nc3ccc(Cl)c(C(F)(F)F)c3)ncn2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.42
RAF1 P04049 2/20 0.41
MAPK3 P27361 2/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
BRAF P15056 4/20 0.41
NR3C2 P08235 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL7781111 0.94 STK17B (0.41) KDRRAF1MAPK3STK17BSTK17A
SCHEMBL7776084 0.93 NR3C2 (0.45) KDRSTK17BSTK17ANR3C2
Hydrochloric Acid SCHEMBL7783014 0.93 STK17B (0.40) KDRRAF1MAPK3STK17BSTK17A
SCHEMBL7780172 0.90 KMO (0.43) KDRRAF1MAPK3BRAFRAPGEF4
SCHEMBL7780190 0.84 THRB (0.47) KDRBRAFNR3C2RAPGEF4PDGFRB
Hydrochloric Acid SCHEMBL7783011 0.83 THRB (0.46) KDRBRAFNR3C2RAPGEF4PDGFRB
SCHEMBL7780162 0.83 GPR52 (0.48) KDRBRAFNR3C2
Hydrochloric Acid SCHEMBL7776099 0.82 GPR52 (0.48) KDRBRAFNR3C2
SCHEMBL8199428 0.76 KDR (0.44) KDRRAF1MAPK3BRAFIDO1
SCHEMBL7781150 0.75 THRB (0.55) KDRBRAFALDH1A1

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