SCHEMBL6966508

SCHEMBL6966508

CC(=O)Oc1ccc2c(c1)C(C)N(c1nc(Nc3ccc(F)cc3)nc(C)c1C)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MARK3 P27448 1/20 0.37
MAPK14 Q16539 1/20 0.36
OPRM1 P35372 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1F P30939 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
PRKACA P17612 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
PRKACG P22612 1/20 0.34

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
Thiophene SCHEMBL6961908 0.94 KMT2A (0.34) KMT2AMARK3MAPK14OPRM1HTR1A
SCHEMBL6965486 0.93 KMT2A (0.37) KMT2AMARK3MAPK14OPRM1HTR1A
Piperidine SCHEMBL6958457 0.93 MARK3 (0.33) KMT2AMARK3MAPK14OPRM1HTR1A
SCHEMBL6957217 0.93 KMT2A (0.35) KMT2AMARK3MAPK14HTR1AHTR1D
SCHEMBL6960905 0.91 KMT2A (0.35) KMT2AMARK3MAPK14HTR1AHTR1D
SCHEMBL6963615 0.91 KMT2A (0.35) KMT2AMARK3HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL6960860 0.91 MARK3 (0.32) KMT2AMARK3MAPK14EGFRFYN
SCHEMBL6969924 0.90 KMT2A (0.35) KMT2AMARK3HTR1AHTR1DHTR1B
SCHEMBL6969919 0.90 KMT2A (0.35) KMT2AMARK3HTR1AHTR1DHTR1B
SCHEMBL6957649 0.90 KMT2A (0.35) KMT2AMARK3HTR1AHTR1DHTR1B

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