SCHEMBL6958341

SCHEMBL6958341

Cc1c(COC(=O)C=Cc2ccccc2)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KCNH3 Q9ULD8 1/20 0.33
EGFR P00533 2/20 0.33
BTK Q06187 1/20 0.33
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6962723 1.00 LMNA (0.33) LMNAKCNH3EGFRBTKRAB9A
SCHEMBL6955988 0.92 EGFR (0.39) LMNAKCNH3EGFRBTKKMT2A
SCHEMBL6955983 0.92 EGFR (0.39) LMNAKCNH3EGFRBTKKMT2A
SCHEMBL6967711 0.88 TRPC3 (0.37) LMNAKCNH3KMT2AMEN1THRB
SCHEMBL6963603 0.87 KCNH3 (0.36) LMNAKCNH3RAB9ANPC1POLB
SCHEMBL6954449 0.86 NOTUM (0.36) LMNAKCNH3KMT2AMEN1ALDH1A1
SCHEMBL6967410 0.86 KCNH3 (0.34) LMNAKCNH3KMT2AMEN1ALDH1A1
SCHEMBL6967941 0.86 TRPC3 (0.34) LMNAKCNH3KMT2AMEN1THRB
SCHEMBL6963630 0.86 GAA (0.36) LMNAKCNH3RAB9ANPC1KMT2A
SCHEMBL6958921 0.84 DRD1 (0.36) LMNAKCNH3EGFRKMT2AMAPT

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 5 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 claimed
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