SCHEMBL4698939

SCHEMBL4698939

CCc1ccc(-c2c(I)oc3ncnc(OC4CNC[C@H](Cc5ccccc5)C4)c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
SLC6A4 P31645 1/20 0.31

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
SCHEMBL4698935 0.76 BCHE (0.40)
SCHEMBL4748341 0.71 ITGB1 (0.31)
SCHEMBL1786399 0.68 ALOX5AP (0.41)
SCHEMBL12607291 0.67 AURKA (0.45)
SCHEMBL12607292 0.67 AURKA (0.45)
SCHEMBL1786801 0.66 AURKA (0.35)
SCHEMBL12607272 0.66 CHEK1 (0.43)
SCHEMBL12607276 0.66 CHEK1 (0.43)
Formic Acid SCHEMBL1787399 0.65 ALOX5AP (0.38)
SCHEMBL3124995 0.64 MERTK (0.34)

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-1966218-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed