SCHEMBL1325271

SCHEMBL1325271

COc1cc(NC(=O)c2csc3cc(Oc4ccnc(N)n4)ccc23)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.51
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
EGLN1 Q9GZT9 1/20 0.41
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL12124590 0.88 KDR (0.56) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325273 0.86 KDR (0.51) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324066 0.85 KDR (0.56) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324816 0.85 KDR (0.52) KDRFLT1FLT4RETPDGFRB
SCHEMBL1323861 0.83 KDR (0.54) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325274 0.83 KDR (0.63) KDRFLT1FLT4RETPDGFRB
SCHEMBL2435244 0.83 KDR (0.71) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325055 0.83 KDR (0.60) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325005 0.82 KDR (0.61) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324209 0.81 KDR (0.75) KDRFLT1FLT4RETPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058276-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2011-11-15 US claimed
US-8058276-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2011-11-15 US disclosed