SCHEMBL6013283

SCHEMBL6013283

Nc1ccc(-c2ccc(OC(CN3CCOCC3)N3CCOCC3)c3[nH]nc(N)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.44
FLT3 P36888 12/20 0.44
KIT P10721 10/20 0.44
JAK2 O60674 5/20 0.36
CSF1R P07333 2/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
CDK8 P49336 2/20 0.33
NTRK3 Q16288 2/20 0.33
AURKB Q96GD4 2/20 0.33
JAK1 P23458 4/20 0.33
TYK2 P29597 4/20 0.33
JAK3 P52333 4/20 0.33
MCHR1 Q99705 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
RET P07949 1/20 0.31
FLT1 P17948 1/20 0.31
LTK P29376 1/20 0.31
NTRK2 Q16620 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL6012613 0.85 KDR (0.61) KDRFLT3KITJAK2CSF1R
SCHEMBL6013085 0.80 KDR (0.74) KDRFLT3KITCSF1RPDGFRB
SCHEMBL6013091 0.80 KDR (0.62) KDRFLT3KITJAK2CSF1R
SCHEMBL422391 0.80 KDR (0.64) KDRFLT3KITCSF1RPDGFRB
SCHEMBL6013316 0.79 KDR (0.62) KDRFLT3KITCSF1RPDGFRB
SCHEMBL423454 0.79 KDR (0.58) KDRFLT3KITCSF1RPDGFRB
SCHEMBL425539 0.76 KIT (0.61) KDRFLT3KITJAK2
SCHEMBL6013195 0.70 KDR (0.73) KDRFLT3KITCSF1RPDGFRB
SCHEMBL423389 0.70 KDR (0.62) KDRFLT3KITCSF1RPDGFRB
SCHEMBL424217 0.70 KDR (0.56) KDRFLT3KITJAK2CSF1R

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
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO disclosed