SCHEMBL2434309

SCHEMBL2434309

O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1COc2cc(Oc3cc(Cl)ncn3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.50
KCNH2 Q12809 1/20 0.49
BRAF P15056 4/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
MAP2K7 O14733 1/20 0.42
RAF1 P04049 1/20 0.41
MAPK3 P27361 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
SCHEMBL2435966 0.91 KDR (0.57) KDRKCNH2BRAFFLT1FLT4
SCHEMBL2434130 0.87 KDR (0.45) KDRKCNH2BRAFFLT1FLT4
SCHEMBL2434322 0.85 KDR (0.51) KDRBRAFFLT1FLT4
SCHEMBL2434370 0.83 KDR (0.59) KDRKCNH2BRAFFLT1FLT4
SCHEMBL2432193 0.83 KDR (0.56) KDRKCNH2BRAFFLT1FLT4
SCHEMBL273466 0.80 KDR (0.54) KDRBRAFFLT1FLT4RAF1
SCHEMBL2437298 0.79 AR (0.41) KDRBRAF
SCHEMBL2437389 0.78 GRM4 (0.41)
SCHEMBL2707647 0.77 KMO (0.43) KDR
SCHEMBL274235 0.77 KDR (0.51) KDRBRAFFLT1FLT4RAF1

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-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed