SCHEMBL13272003

SCHEMBL13272003

COc1ccc(-c2c(C3C=CC=CC3)oc3ncnc(OC4CCCN(CCC#N)C4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.40
KDM2B Q8NHM5 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
KDM1A O60341 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 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
SCHEMBL1787327 0.84 TNK2 (0.48) GSK3BKDM4EALDH1A1HPGDNPSR1
SCHEMBL12607061 0.81 TNK2 (0.47) GSK3BKDM4EALDH1A1HPGDNPSR1
SCHEMBL4698145 0.75 TNK2 (0.49) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL4753075 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL4750471 0.73 TNK2 (0.47) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL1785467 0.72 TNK2 (0.48) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL1786593 0.72 TNK2 (0.48) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL12607170 0.72 TNK2 (0.48) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL1787960 0.71 TNK2 (0.48) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL12607137 0.71 TNK2 (0.49) KDM4EALDH1A1HPGDNPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966218-B1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2010-07-14 EP disclosed