SCHEMBL31475161

SCHEMBL31475161

CCN(CC)Cc1ccc(/C=C/c2nn(C3CCCCO3)c3cc(Sc4cc(F)ccc4C(=O)NC)ccc23)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.34
PLK4 O00444 2/20 0.34
AURKA O14965 2/20 0.34
MAP4K4 O95819 2/20 0.34
PAK4 O96013 2/20 0.34
ABL1 P00519 2/20 0.34
LCK P06239 2/20 0.34
CSF1R P07333 2/20 0.34
RET P07949 2/20 0.34
MET P08581 2/20 0.34
PDGFRB P09619 2/20 0.34
KIT P10721 2/20 0.34
FGFR1 P11362 2/20 0.34
PDGFRA P16234 2/20 0.34
FLT1 P17948 2/20 0.34
FGFR3 P22607 2/20 0.34
TYK2 P29597 2/20 0.34
AXL P30530 2/20 0.34
FLT4 P35916 2/20 0.34
BLK P51451 2/20 0.34

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
SCHEMBL31475194 0.95 KDR (0.34) KDRPLK4AURKAMAP4K4PAK4
SCHEMBL31475212 0.94 KDR (0.37) KDRTTK
SCHEMBL30786214 0.91 KDR (0.34) KDR
SCHEMBL31475185 0.90 KDR (0.34) KDRPLK4AURKAMAP4K4PAK4
SCHEMBL30786216 0.90 KDR (0.37) KDRTTK
SCHEMBL30786086 0.89 KDR (0.32) KDRPLK4AURKAMAP4K4PAK4
SCHEMBL31475215 0.88 KDR (0.37) KDRTTK
SCHEMBL31475172 0.87 GPR119 (0.32) RXRARXRBRXRG
SCHEMBL31475199 0.85 KDR (0.34) KDRPLK4AURKAMAP4K4PAK4
SCHEMBL31475207 0.84 KDR (0.36) KDRTTK

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-119604488-A Protein tyrosine kinase inhibitor and medical application thereof 苏州必扬医药科技有限公司 2025-03-11 CN disclosed