SCHEMBL31672437

SCHEMBL31672437

COc1ccc(-c2ccc3c(c2)NC(=O)C3=Cc2[nH]c(C)c(C(=O)NCCN3CCCC3)c2C)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.73
PDGFRB P09619 6/20 0.73
FLT3 P36888 5/20 0.73
AURKB Q96GD4 5/20 0.73
MET P08581 2/20 0.73
AURKA O14965 2/20 0.68
LCK P06239 1/20 0.68
KIT P10721 1/20 0.68
KCNH2 Q12809 1/20 0.68
FGFR1 P11362 4/20 0.64
TLK2 Q86UE8 1/20 0.64
LRRK2 Q5S007 1/20 0.58
CHEK1 O14757 5/20 0.57
PRKAA1 Q13131 4/20 0.51
PRKAA2 P54646 3/20 0.51
AURKC Q9UQB9 1/20 0.51
EGFR P00533 1/20 0.50

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
SCHEMBL13755239 1.00 KDR (0.73) KDRPDGFRBFLT3AURKBMET
SCHEMBL2113946 1.00 KDR (0.73) KDRPDGFRBFLT3AURKBMET
SCHEMBL13755238 0.87 KDR (0.64) KDRPDGFRBFLT3AURKBMET
SCHEMBL2118568 0.87 KDR (0.64) KDRPDGFRBFLT3AURKBMET
SCHEMBL31672433 0.87 KDR (0.64) KDRPDGFRBFLT3AURKBMET
SCHEMBL2114207 0.85 KDR (0.70) KDRPDGFRBFLT3AURKBMET
SCHEMBL31672506 0.85 KDR (0.70) KDRPDGFRBFLT3AURKBMET
SCHEMBL13755214 0.85 KDR (0.70) KDRPDGFRBFLT3AURKBMET
SCHEMBL13755206 0.85 KDR (0.59) KDRPDGFRBFLT3AURKBMET
SCHEMBL2115774 0.85 KDR (0.59) KDRPDGFRBFLT3AURKBMET

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-4599890-A2 SUNITINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2025-08-13 EP disclosed