SCHEMBL8668648

SCHEMBL8668648

C=CCOc1ccc(Oc2ccncn2)c(S(C)(=O)=O)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
BRAF P15056 1/20 0.31
MAPK14 Q16539 1/20 0.31
TNNI3K Q59H18 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL8665290 0.87 HPGD (0.38) KDRBRAFMAPK14TNNI3K
SCHEMBL8670005 0.84 SCN9A (0.35) KDRBRAFMAPK14TNNI3K
SCHEMBL8665228 0.82 BRAF (0.34) KDRBRAFMAPK14TNNI3K
SCHEMBL8665890 0.82 KDR (0.34) KDRBRAFMAPK14TNNI3K
SCHEMBL8666414 0.82 BRAF (0.34) KDRBRAFMAPK14TNNI3K
SCHEMBL8666832 0.81 BRAF (0.33) KDRBRAFMAPK14TNNI3K
SCHEMBL8669895 0.81 BRAF (0.33) KDRBRAFMAPK14TNNI3K
SCHEMBL8665000 0.75 BCHE (0.33) KDRBRAFMAPK14TNNI3K
SCHEMBL8669834 0.74 BRAF (0.39) KDRBRAFMAPK14TNNI3KHTR2C
SCHEMBL8027259 0.67 KDM4E (0.38)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723412-A HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-03 US disclosed