SCHEMBL6954449

SCHEMBL6954449

CCOC(=O)CCC(=O)OCc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH3 Q9ULD8 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM2B Q8NHM5 2/20 0.33
KDM6B O15054 1/20 0.33
KDM6A O15550 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM3B Q7LBC6 1/20 0.33
TET1 Q8NFU7 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL6962395 0.94 GAA (0.36) KMT2AKCNH3NPSR1THRBSMN1; SMN2
SCHEMBL6967410 0.94 KCNH3 (0.34) MEN1KMT2AKCNH3NPSR1THRB
SCHEMBL6967711 0.90 TRPC3 (0.37) MEN1KMT2AKCNH3NPSR1THRB
SCHEMBL6967941 0.89 TRPC3 (0.34) MEN1KMT2AKCNH3NPSR1THRB
SCHEMBL6963603 0.88 KCNH3 (0.36) MEN1KMT2AKCNH3NPSR1THRB
SCHEMBL6963630 0.88 GAA (0.36) MEN1KMT2AKCNH3NPSR1CDK2
SCHEMBL6957770 0.88 THRB (0.35) KCNH3THRBJAK2JAK1
Hydrochloric Acid SCHEMBL6961096 0.88 KDM4E (0.34) KCNH3NPSR1THRBSMN1; SMN2GAA
SCHEMBL6955983 0.87 EGFR (0.39) MEN1KMT2AKCNH3NPSR1THRB
SCHEMBL6962206 0.87 MAPT (0.36) MEN1KMT2ANPSR1CDK2THRB

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