SCHEMBL6962677

SCHEMBL6962677

COc1ccc(CC(=O)Oc2ccc3c(c2)C(C)N(c2nc(Nc4ccc(F)cc4)nc(C)c2C)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
KLK7 P49862 4/20 0.37
EGFR P00533 1/20 0.37
FYN P06241 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKACA P17612 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 1/20 0.37
EPHB3 P54753 1/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
KMT2A Q03164 1/20 0.36
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL6962260 0.94 SLC2A1 (0.40) SLC2A1KLK7EGFRFYNPDGFRB
SCHEMBL6960659 0.93 POLB (0.38) SLC2A1EGFRFYNPDGFRBFGFR1
SCHEMBL6963615 0.89 KMT2A (0.35) EGFRFYNPDGFRBFGFR1PDGFRA
SCHEMBL6958886 0.88 POLB (0.38) EGFRFYNPDGFRBFGFR1PDGFRA
SCHEMBL6966508 0.87 KMT2A (0.37) EGFRFYNPDGFRBFGFR1PDGFRA
Hydrochloric Acid SCHEMBL6955803 0.87 CYP1A2 (0.39) EGFRFYNPDGFRBFGFR1PDGFRA
SCHEMBL6963612 0.87 KMT2A (0.35) EGFRFYNPDGFRBFGFR1PDGFRA
SCHEMBL6955926 0.87 P2RX3 (0.34) EGFRFYNPDGFRBFGFR1PDGFRA
SCHEMBL6961899 0.86 KCNH3 (0.36) EGFRFYNPDGFRBFGFR1PDGFRA
SCHEMBL6955632 0.85 EGFR (0.33) EGFRCDK2KMT2AKCNH3PARP1

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-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed