SCHEMBL31249566

SCHEMBL31249566

Nc1cccc(Sc2ccc3c(/C=C/c4ccccn4)nn(C4CCCCO4)c3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.36
RET P07949 3/20 0.34
NTRK1 P04629 2/20 0.34
NTRK2 Q16620 2/20 0.34
NTRK3 Q16288 1/20 0.34
FGFR1 P11362 6/20 0.33
PLK4 O00444 2/20 0.32
AURKA O14965 2/20 0.32
MAP4K4 O95819 2/20 0.32
PAK4 O96013 2/20 0.32
ABL1 P00519 2/20 0.32
LCK P06239 2/20 0.32
CSF1R P07333 2/20 0.32
MET P08581 2/20 0.32
PDGFRB P09619 2/20 0.32
KIT P10721 2/20 0.32
PDGFRA P16234 2/20 0.32
FLT1 P17948 2/20 0.32
FGFR3 P22607 2/20 0.32
TYK2 P29597 2/20 0.32

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
SCHEMBL31249530 1.00 KDR (0.36) KDRRETNTRK1NTRK2NTRK3
SCHEMBL4053575 0.88 RET (0.37) KDRRETFGFR1
SCHEMBL4053570 0.88 RET (0.37) KDRRETFGFR1
SCHEMBL4064842 0.88 KDR (0.40) KDRRETNTRK1NTRK2NTRK3
SCHEMBL4064833 0.88 KDR (0.40) KDRRETNTRK1NTRK2NTRK3
SCHEMBL28567548 0.84 RET (0.35) KDRRETFGFR1ABL1
SCHEMBL28567549 0.84 RET (0.35) KDRRETFGFR1ABL1
SCHEMBL30628346 0.84 KDR (0.47) KDRRETNTRK1NTRK2NTRK3
SCHEMBL28684897 0.83 RET (0.37) KDRRETFGFR1
SCHEMBL28684894 0.83 RET (0.37) KDRRETFGFR1

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
CN-118994101-A Arylindazole ring compound, preparation method, pharmaceutical composition and application 安徽医科大学 2024-11-22 CN disclosed