SCHEMBL3399472

SCHEMBL3399472

CCN(CC)CCOc1ccc(-c2ccc(N(C(N)=O)c3cccc(F)c3)cc2)c2c(N)n[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.60
FLT3 P36888 11/20 0.60
KIT P10721 10/20 0.60
PDGFRB P09619 5/20 0.43
CSF1R P07333 3/20 0.43
PDGFRA P16234 2/20 0.43
CDK8 P49336 2/20 0.43
NTRK3 Q16288 2/20 0.43
AURKB Q96GD4 2/20 0.43
FLT1 P17948 2/20 0.43
RET P07949 1/20 0.43
LTK P29376 1/20 0.43
NTRK2 Q16620 1/20 0.43
ALK Q9UM73 1/20 0.43
ABL1 P00519 2/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
LYN P07948 1/20 0.39
SRC P12931 1/20 0.39
FLT4 P35916 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
SCHEMBL27657309 0.90 KDR (0.57) KDRFLT3KITPDGFRBCSF1R
SCHEMBL27657548 0.88 KDR (0.48) KDRFLT3KITPDGFRBCSF1R
SCHEMBL3359876 0.83 KDR (0.61) KDRFLT3KITPDGFRBCSF1R
SCHEMBL3360963 0.83 KDR (0.59) KDRFLT3KITPDGFRBCSF1R
SCHEMBL421024 0.82 KDR (0.84) KDRFLT3KITPDGFRBCSF1R
SCHEMBL13372713 0.81 KDR (0.52) KDRFLT3KITPDGFRBCSF1R
SCHEMBL13372721 0.80 KDR (0.57) KDRFLT3KITPDGFRBCSF1R
SCHEMBL27657317 0.80 KDR (0.57) KDRFLT3KITPDGFRBCSF1R
SCHEMBL27657310 0.80 KDR (0.59) KDRFLT3KITPDGFRBCSF1R
SCHEMBL27636401 0.80 KDR (0.55) KDRFLT3KITPDGFRBCSF1R

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-2246333-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors Abbott Laboratories (US) 2010-11-03 EP disclosed