SCHEMBL3124995

SCHEMBL3124995

CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@H]4CCC[C@@H]([O])C4)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.34
TNK2 Q07912 12/20 0.34
AURKA O14965 4/20 0.33
LCK P06239 5/20 0.33
ABL1 P00519 1/20 0.33
LYN P07948 1/20 0.33
BTK Q06187 1/20 0.33
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
UBE2N P61088 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDR P35968 1/20 0.31
TEK Q02763 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
SCHEMBL14467227 0.90 AURKA (0.36) MERTKTNK2AURKALCKABL1
SCHEMBL1787745 0.90 AURKA (0.36) MERTKTNK2AURKALCKABL1
SCHEMBL3125001 0.90 AURKA (0.36) MERTKTNK2AURKALCKABL1
SCHEMBL1785336 0.87 MERTK (0.37) MERTKTNK2AURKALCK
SCHEMBL3125008 0.87 MERTK (0.37) MERTKTNK2AURKALCK
SCHEMBL4788723 0.87 MERTK (0.34) MERTKTNK2AURKALCKABL1
SCHEMBL1786399 0.86 ALOX5AP (0.41) MERTKTNK2LCK
SCHEMBL1785444 0.84 MERTK (0.33) MERTKTNK2AURKALCKAXL
SCHEMBL1786037 0.84 MERTK (0.33) MERTKTNK2AURKALCKAXL
SCHEMBL1786511 0.84 MERTK (0.33) MERTKTNK2AURKALCKAXL

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