SCHEMBL3476222

SCHEMBL3476222

CCCCOC(=O)OC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1nc2cccc(OC)c2o1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.35
PDGFRB P09619 5/20 0.35
ALPL P05186 1/20 0.35
TP53 P04637 1/20 0.34
EGFR P00533 4/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
P2RY14 Q15391 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
F2 P00734 1/20 0.32
LMNA P02545 1/20 0.32
MIF P14174 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 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
SCHEMBL3476220 0.81 ALPL (0.33) KDRPDGFRBALPLTP53HSD17B10
SCHEMBL2387600 0.71 ALPL (0.38) KDRPDGFRBALPLKDM4EALDH1A1
SCHEMBL30900153 0.65 DGAT1 (0.47) KDM4EGSK3AGSK3BALDH1A1MAPT
SCHEMBL13625129 0.63 PDGFRB (0.40) KDRPDGFRBALPLTP53HSD17B10
SCHEMBL21634990 0.62 UCHL1 (0.35) KDM4ETSHRALDH1A1MAPTLMNA
SCHEMBL23247605 0.62 ALPL (0.48) KDRPDGFRBALPLEGFRKDM4E
SCHEMBL21672048 0.61 L3MBTL1 (0.44) KDM4ETSHRGSK3AGSK3BALDH1A1
SCHEMBL21439053 0.61 LIPG (0.56) LMNA
SCHEMBL30061503 0.61 LIPG (0.56) LMNA
SCHEMBL29394284 0.61 L3MBTL1 (0.44) KDM4ETSHRGSK3AGSK3BALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed