SCHEMBL6955988

SCHEMBL6955988

CC=CC(=O)OCc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
BTK Q06187 2/20 0.39
JAK3 P52333 1/20 0.36
KCNH3 Q9ULD8 1/20 0.33
TRPC3 Q13507 2/20 0.32
TRPC6 Q9Y210 2/20 0.32
THRB P10828 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
MARK3 P27448 1/20 0.31
KMT2A Q03164 3/20 0.31
CHRM3 P20309 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 2/20 0.31
BLM P54132 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6955983 1.00 EGFR (0.39) EGFRBTKJAK3KCNH3TRPC3
SCHEMBL6962723 0.92 LMNA (0.33) EGFRBTKKCNH3THRBKMT2A
SCHEMBL6958341 0.92 LMNA (0.33) EGFRBTKKCNH3THRBKMT2A
SCHEMBL6967711 0.90 TRPC3 (0.37) KCNH3TRPC3TRPC6THRBTRPM8
SCHEMBL6967410 0.88 KCNH3 (0.34) KCNH3TRPC3TRPC6THRBTRPM8
SCHEMBL6967941 0.88 TRPC3 (0.34) KCNH3TRPC3TRPC6THRBTRPM8
SCHEMBL6963630 0.88 GAA (0.36) KCNH3TRPC3TRPC6THRBTRPM8
SCHEMBL6963603 0.88 KCNH3 (0.36) KCNH3THRBKMT2AALDH1A1MEN1
SCHEMBL6954449 0.87 NOTUM (0.36) KCNH3TRPC3TRPC6THRBKMT2A
SCHEMBL6962206 0.86 MAPT (0.36) THRBKMT2AJAK2JAK1ALDH1A1

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 4 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
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed