SCHEMBL7885604

SCHEMBL7885604

FC(F)(F)c1cc(Oc2cc(Oc3ccc(Cl)c(C(F)(F)F)c3)ncn2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.49
MAPK3 P27361 4/20 0.49
KDR P35968 10/20 0.49
BRAF P15056 3/20 0.49
KMO O15229 1/20 0.48
PLA2G7 Q13093 3/20 0.42
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL679527 0.93 KDR (0.49) RAF1MAPK3KDRBRAFKMO
SCHEMBL7791086 0.92 KDR (0.49) RAF1MAPK3KDRBRAFKMO
SCHEMBL679617 0.92 RAF1 (0.45) RAF1MAPK3KDRBRAFKMO
SCHEMBL7776445 0.91 RAF1 (0.46) RAF1MAPK3KDRBRAFKMO
SCHEMBL8683809 0.89 KDR (0.48) RAF1MAPK3KDRBRAF
SCHEMBL8773801 0.86 KDR (0.47) RAF1MAPK3KDRBRAFKMO
SCHEMBL679549 0.86 RAF1 (0.43) RAF1MAPK3KDRBRAFKMO
SCHEMBL6938479 0.82 KDR (0.48) KDRBRAFKMOPLA2G7
SCHEMBL15195551 0.81 KDM4E (0.47) RAF1MAPK3KDRBRAFPLA2G7
SCHEMBL8199428 0.79 KDR (0.44) 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-0650482-B1 PESTICIDAL PYRIMIDINE COMPOUNDS BASF AG (DE) 2001-10-04 EP disclosed
US-5707995-A APPLYING TO SKINS/COATS OF ANIMALS TO CONTROL TICKS, INSECTS, PARASITES AMERICAN CYANAMID COMPANY (US) 1998-01-13 US disclosed
EP-0650482-A1 PESTICIDAL PYRIMIDINE COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-05-03 EP disclosed
WO-1994002470-A1 PESTICIDAL PYRIMIDINE COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-02-03 WO disclosed