SCHEMBL6961464

SCHEMBL6961464

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)c4ccc(F)cc4F)ccc3C2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAPT P10636 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
TP53 P04637 1/20 0.33
IDH1 O75874 2/20 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

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
SCHEMBL6963362 0.94 KMT2A (0.34) HIF1AKMT2ASMN1; SMN2NPSR1AURKA
SCHEMBL6964427 0.94 KMT2A (0.35) HIF1AKMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL6957853 0.92 KMT2A (0.34) KMT2ASMN1; SMN2NPSR1MAPTKDM4C
SCHEMBL6963254 0.92 TP53 (0.33) KMT2ASMN1; SMN2NPSR1MAPTTP53
SCHEMBL6956125 0.91 KMT2A (0.35) KMT2ASMN1; SMN2NPSR1MAPTTP53
SCHEMBL6958073 0.90 KMT2A (0.33) KMT2ASMN1; SMN2NPSR1MAPTKDM4C
SCHEMBL6959003 0.90 TP53 (0.41) KMT2ASMN1; SMN2NPSR1MAPTTP53
SCHEMBL6965486 0.90 KMT2A (0.37) KMT2ASMN1; SMN2NPSR1MAPTTP53
SCHEMBL6962832 0.89 NR1D1 (0.34) KMT2ASMN1; SMN2NPSR1MAPTTP53
SCHEMBL6962863 0.89 KMT2A (0.38) KMT2ASMN1; SMN2NPSR1MAPTKDM4C

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 3 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