SCHEMBL7780253

SCHEMBL7780253

Cc1cccc(N(c2cc(Oc3ccc(Cl)c(C(F)(F)F)c3)ncn2)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.41
MAPK3 P27361 2/20 0.41
KDR P35968 10/20 0.39
BRAF P15056 5/20 0.38
LIPE Q05469 1/20 0.38
AR P10275 1/20 0.37
MAPK14 Q16539 1/20 0.37
TNNI3K Q59H18 1/20 0.37
KMO O15229 1/20 0.35
PLA2G7 Q13093 2/20 0.35
EGFR P00533 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7781117 0.92 KMO (0.43) RAF1MAPK3KDRBRAFLIPE
SCHEMBL7783738 0.89 KDR (0.39) KDRBRAFLIPEARMAPK14
SCHEMBL7783034 0.85 RAF1 (0.42) RAF1MAPK3KDRBRAFPLA2G7
SCHEMBL7776082 0.83 KDR (0.46) RAF1KDRBRAFLIPEMAPK14
SCHEMBL7782975 0.81 RAF1 (0.39) RAF1MAPK3KDRBRAFKMO
SCHEMBL7780252 0.79 KDR (0.48) RAF1MAPK3KDRBRAFLIPE
SCHEMBL7056169 0.76 KDR (0.40) RAF1MAPK3KDRBRAFMAPK14
SCHEMBL7885604 0.76 RAF1 (0.49) RAF1MAPK3KDRBRAFKMO
SCHEMBL7776101 0.73 KDR (0.42) RAF1MAPK3KDRBRAFPLA2G7
SCHEMBL7781138 0.73 KDR (0.42) RAF1MAPK3KDRBRAFPLA2G7

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 4 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-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