SCHEMBL2437106

SCHEMBL2437106

Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c[nH]c3c2)ncn1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.72
FLT1 P17948 4/20 0.72
FLT4 P35916 4/20 0.72
CDK8 P49336 2/20 0.49
BRAF P15056 2/20 0.47
MAPK14 Q16539 1/20 0.47
TNNI3K Q59H18 1/20 0.47
KCNH2 Q12809 1/20 0.44
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
HTR2C P28335 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
SCHEMBL2433803 0.85 KDR (0.74) KDRFLT1FLT4CDK8BRAF
SCHEMBL2435963 0.84 KDR (1.00) KDRFLT1FLT4CDK8BRAF
SCHEMBL2441034 0.80 KDR (0.68) KDRFLT1FLT4CDK8BRAF
SCHEMBL2434355 0.80 KDR (0.76) KDRFLT1FLT4CDK8BRAF
SCHEMBL2433827 0.80 KDR (0.56) KDRFLT1FLT4CDK8BRAF
SCHEMBL2431520 0.77 MDH2 (0.45) KDRFLT1FLT4
SCHEMBL2435078 0.76 NR4A2 (0.52) KDRFLT1FLT4BRAFMAPK14
SCHEMBL2438876 0.73 KDR (0.66) KDRFLT1FLT4BRAFKCNH2
SCHEMBL14567424 0.73 KDR (0.64) KDRFLT1FLT4CDK8BRAF
SCHEMBL2467268 0.72 KDR (0.79) KDRFLT1FLT4KCNH2RET

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