SCHEMBL2431083

SCHEMBL2431083

O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3cc(Cl)ncn3)ccc21

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.82
KCNH2 Q12809 4/20 0.65
FLT1 P17948 2/20 0.53
FLT4 P35916 2/20 0.53
RET P07949 1/20 0.53
PDGFRB P09619 1/20 0.53
KIT P10721 1/20 0.53
MAPK14 Q16539 3/20 0.52
TNNI3K Q59H18 3/20 0.52
BRAF P15056 2/20 0.52

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
SCHEMBL11966275 0.90 KDR (0.81) KDRKCNH2FLT1FLT4RET
SCHEMBL2430884 0.90 KDR (1.00) KDRKCNH2FLT1FLT4RET
SCHEMBL2509786 0.90 KDR (1.00) KDRKCNH2FLT1FLT4RET
SCHEMBL11966518 0.89 KDR (0.79) KDRKCNH2FLT1FLT4RET
SCHEMBL2503460 0.89 KDR (0.86) KDRKCNH2FLT1FLT4RET
SCHEMBL11966519 0.89 KDR (0.79) KDRKCNH2FLT1FLT4RET
SCHEMBL2503817 0.89 KDR (0.79) KDRKCNH2FLT1FLT4RET
SCHEMBL11966520 0.89 KDR (0.79) KDRKCNH2FLT1FLT4RET
SCHEMBL2508055 0.88 KDR (0.71) KDRKCNH2FLT1FLT4RET
SCHEMBL2503400 0.87 KDR (0.83) KDRKCNH2FLT1FLT4RET

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