SCHEMBL2434322

SCHEMBL2434322

O=C(Nc1cccc(C(F)(F)F)c1)N1COc2cc(Oc3cc(Cl)ncn3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.51
BRAF P15056 12/20 0.50
MAPK14 Q16539 11/20 0.50
TNNI3K Q59H18 11/20 0.50
FLT1 P17948 2/20 0.47
FLT4 P35916 2/20 0.47
NTRK1 P04629 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46

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
SCHEMBL2437406 0.91 KDR (0.63) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2433093 0.89 KDR (0.64) KDRBRAFMAPK14TNNI3K
SCHEMBL2434342 0.86 KDR (0.60) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2434309 0.85 KDR (0.50) KDRBRAFFLT1FLT4
SCHEMBL2778523 0.83 RIPK1 (0.54) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2433250 0.83 KDR (0.60) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2435957 0.82 KDR (0.62) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL12972254 0.81 KDR (0.50) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL10261459 0.81 KDR (0.52) KDRBRAFMAPK14TNNI3K
SCHEMBL2437401 0.81 KDR (0.62) KDRBRAFMAPK14TNNI3K

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