SCHEMBL4766245

SCHEMBL4766245

CC(C)(C)N(Cc1cc2ncnc(Oc3ccc(N)c(Cl)c3)c2[nH]1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.34
KDM5A P29375 6/20 0.34
KDM5B Q9UGL1 5/20 0.34
RET P07949 2/20 0.34
KDR P35968 9/20 0.33
FGFR1 P11362 3/20 0.33
KIT P10721 2/20 0.33
PDGFRA P16234 2/20 0.33
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDM4A O75164 2/20 0.33
CSF1R P07333 1/20 0.32
FLT3 P36888 1/20 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
SCHEMBL4771434 0.81 EGFR (0.37) RETKDRFGFR1KITPDGFRA
SCHEMBL4283173 0.80 KDR (0.39) KDM4CKDM5AKDM5BRETKDR
SCHEMBL4284961 0.78 KDR (0.61) KDRFGFR1KITPDGFRAFLT1
SCHEMBL4278148 0.75 RET (0.36) RETKDRFGFR1KITPDGFRA
SCHEMBL4282301 0.75 EGFR (0.41) RETKDR
SCHEMBL4771430 0.74 EGFR (0.37) RETKDRFGFR1KITPDGFRA
SCHEMBL4290591 0.68 DYRK1A (0.45) KDR
SCHEMBL14674224 0.67 SOS1 (0.45)
SCHEMBL501648 0.66 KCNQ3 (0.34)
SCHEMBL14674398 0.65 HTR2A (0.40)

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-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 WO disclosed