SCHEMBL7780255

SCHEMBL7780255

CN(c1ccc(F)c(C(F)(F)F)c1)c1cc(Oc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.46
MAPK14 Q16539 5/20 0.46
TNNI3K Q59H18 5/20 0.46
BRAF P15056 4/20 0.46
P2RY1 P47900 3/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAP2K7 O14733 1/20 0.39
EGFR P00533 2/20 0.38
CSF1R P07333 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
PPP1CA P62136 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7783042 0.94 KDR (0.45) KDRMAPK14TNNI3KBRAFP2RY1
SCHEMBL7776073 0.92 KDR (0.48) KDRMAPK14TNNI3KBRAFMAP2K7
SCHEMBL7048715 0.89 KDR (0.40) KDRMAPK14TNNI3KBRAFL3MBTL1
SCHEMBL7776080 0.88 KDR (0.52) KDRMAPK14TNNI3KBRAFP2RY1
SCHEMBL7783043 0.87 KDR (0.44) KDRMAPK14TNNI3KBRAFP2RY1
SCHEMBL7775742 0.85 KDR (0.48) KDRMAPK14TNNI3KBRAFP2RY1
SCHEMBL7776101 0.83 KDR (0.42) KDRBRAF
SCHEMBL7781138 0.83 KDR (0.42) KDRBRAF
SCHEMBL7781098 0.82 KDR (0.40) KDRMAPK14TNNI3KBRAFMAP2K7
SCHEMBL8683754 0.82 ALDH1A1 (0.47) KDRMAPK14TNNI3KBRAFMAPT

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