SCHEMBL6955926

SCHEMBL6955926

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MARK3 P27448 1/20 0.32
GAA P10253 1/20 0.32
SCD O00767 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
FGFR2 P21802 1/20 0.32

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
SCHEMBL6957796 0.94 MAPT (0.35) P2RX3MAPTKMT2ATP53ALDH1A1
SCHEMBL6963612 0.92 KMT2A (0.35) MAPTKMT2ATP53NPSR1MARK3
SCHEMBL6963615 0.92 KMT2A (0.35) MAPTKMT2ATP53ALDH1A1KDM4E
SCHEMBL6966508 0.88 KMT2A (0.37) MAPTKMT2ATP53NPSR1MARK3
SCHEMBL6957217 0.88 KMT2A (0.35) MAPTKMT2ATP53NPSR1MARK3
SCHEMBL6962677 0.87 SLC2A1 (0.40) MAPTKMT2AALDH1A1NPSR1EGFR
SCHEMBL6962244 0.86 KMT2A (0.35) P2RX3MAPTKMT2ATP53NPSR1
SCHEMBL6960905 0.86 KMT2A (0.35) KMT2ANPSR1MARK3EGFRFYN
SCHEMBL6956604 0.86 KMT2A (0.35) MAPTKMT2ATP53NPSR1MARK3
SCHEMBL6961325 0.85 IGF1R (0.34) MAPTKMT2AALDH1A1KDM4ENPSR1

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