SCHEMBL6962957

SCHEMBL6962957

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)C(C)C)ccc3C2C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.34
SRC P12931 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EGFR P00533 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MAPK1 P28482 1/20 0.33
KDR P35968 1/20 0.33
EPHB3 P54753 1/20 0.33
PPARA Q07869 3/20 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
SCHEMBL6957217 0.94 KMT2A (0.35) KMT2APOLBSRCSMN1; SMN2NPSR1
SCHEMBL6965486 0.93 KMT2A (0.37) KMT2ASMN1; SMN2NPSR1EGFRFYN
Hydrochloric Acid SCHEMBL6957736 0.92 KMT2A (0.33) KMT2APOLBSMN1; SMN2NPSR1EGFR
Hydrochloric Acid SCHEMBL6957739 0.92 KMT2A (0.33) KMT2APOLBSMN1; SMN2NPSR1EGFR
SCHEMBL6958624 0.89 KMT2A (0.35) KMT2ASMN1; SMN2NPSR1EGFRFYN
SCHEMBL6956604 0.89 KMT2A (0.35) KMT2ASMN1; SMN2NPSR1EGFRFYN
SCHEMBL6958026 0.88 KMT2A (0.35) KMT2ASMN1; SMN2NPSR1EGFRFYN
SCHEMBL6958023 0.88 KMT2A (0.35) KMT2ASMN1; SMN2NPSR1EGFRFYN
SCHEMBL6957796 0.88 MAPT (0.35) KMT2ASMN1; SMN2NPSR1EGFRFYN
Thiophene SCHEMBL6967122 0.88 KMT2A (0.34) KMT2ASMN1; SMN2NPSR1EGFRFYN

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