SCHEMBL3273702

SCHEMBL3273702

Cc1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)O)c1C

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.76
KDR P35968 8/20 0.76
FLT4 P35916 4/20 0.76
KIT P10721 2/20 0.69
ALK Q9UM73 2/20 0.69
AURKB Q96GD4 6/20 0.62
PDGFRB P09619 4/20 0.62
AURKA O14965 1/20 0.62
MET P08581 1/20 0.62
AURKC Q9UQB9 1/20 0.62
CSF1R P07333 1/20 0.58
FGFR1 P11362 3/20 0.55
ABL1 P00519 1/20 0.55
RET P07949 1/20 0.55
EGFR P00533 1/20 0.53
PRKAA1 Q13131 4/20 0.52
PRKAA2 P54646 3/20 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
SCHEMBL3273838 0.91 ALK (0.79) FLT3KDRFLT4KITALK
SCHEMBL6585195 0.88 KDR (0.67) FLT3KDRFLT4KITALK
SCHEMBL6585951 0.88 KDR (0.76) FLT3KDRFLT4KITALK
SCHEMBL3271916 0.88 KDR (0.67) FLT3KDRFLT4KITALK
SCHEMBL6587955 0.88 ALK (0.83) FLT3KDRFLT4KITALK
SCHEMBL24166735 0.88 KDR (0.64) FLT3KDRFLT4KITALK
SCHEMBL3268878 0.88 KDR (0.76) FLT3KDRFLT4KITALK
SCHEMBL3268874 0.88 ALK (0.83) FLT3KDRFLT4KITALK
SCHEMBL31727049 0.88 KDR (0.67) FLT3KDRFLT4KITALK
SCHEMBL3798589 0.86 KDR (0.70) FLT3KDRFLT4KITALK

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
EP-2029580-B1 NOVEL INDOL-PYRROL DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE AND INFLAMMATORY DISEASES SCHEBO BIOTECH AG (DE) 2010-06-16 EP claimed