SCHEMBL6964419

SCHEMBL6964419

COc1ccc(CC(=O)OCc2nc(Nc3ccc(F)cc3)nc(N3CCc4ccccc4C3C)c2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 5/20 0.40
SLC2A1 P11166 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
KDR P35968 1/20 0.35
EPHB3 P54753 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35

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
SCHEMBL6963679 0.92 POLB (0.40) KCNH3LMNAMAPTL3MBTL1
SCHEMBL6967410 0.88 KCNH3 (0.34) ALDH1A1MAPK1SMN1; SMN2KCNH3LMNA
SCHEMBL6954449 0.87 NOTUM (0.36) ALDH1A1SMN1; SMN2KCNH3LMNAGAA
SCHEMBL6967711 0.86 TRPC3 (0.37) MAPK1KCNH3LMNANPSR1
SCHEMBL6965503 0.86 KCNH3 (0.36) SMN1; SMN2RAB9AKCNH3MAPTL3MBTL1
SCHEMBL6957770 0.85 THRB (0.35) KCNH3
SCHEMBL6962395 0.85 GAA (0.36) ALDH1A1SMN1; SMN2RAB9AKCNH3GAA
SCHEMBL6967941 0.85 TRPC3 (0.34) MAPK1SMN1; SMN2KCNH3LMNANPSR1
SCHEMBL6963630 0.84 GAA (0.36) ALDH1A1SMN1; SMN2RAB9AKCNH3LMNA
SCHEMBL6963603 0.84 KCNH3 (0.36) ALDH1A1MAPK1SMN1; SMN2RAB9AKCNH3

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-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed