SCHEMBL20879664

SCHEMBL20879664

CC(=O)c1coc(-c2cnn(C3CCCCO3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.43
MCL1 Q07820 1/20 0.39
FLT3 P36888 2/20 0.37
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
FGFR1 P11362 3/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
DDR2 Q16832 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ABL1 P00519 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
SCHEMBL16896617 0.90 KDM5B (0.42) KDM5BMCL1FLT3SYKAURKB
SCHEMBL16896604 0.86 KDM5B (0.40) KDM5BMCL1FLT3SYKAURKB
SCHEMBL22781038 0.80 KDM5B (0.43) KDM5BMCL1FLT3SYKAURKB
SCHEMBL16899196 0.76 IRAK4 (0.37) KDM5BMCL1RXRARXRBRXRG
SCHEMBL29533406 0.72 KDM5B (0.47) KDM5BMCL1FLT3SYKAURKB
SCHEMBL25183152 0.72 KDM5B (0.42) KDM5BMCL1FLT3SYKAURKB
SCHEMBL30336044 0.72 KDM5B (0.42) KDM5BMCL1FLT3SYKAURKB
SCHEMBL16896639 0.71 CYP4F2 (0.48) KDM5BMCL1FLT3SYKAURKB
SCHEMBL29505407 0.71 CYP4F2 (0.48) KDM5BMCL1FLT3SYKAURKB
SCHEMBL23535740 0.71 MCL1 (0.47) KDM5BMCL1FLT3FGFR1FGFR2

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-3466955-A1 METHOD OF PREPARING OXAZOLO[4,5-B]PYRIDINE AND THIAZOLO[4,5-B]PYRIDINE DERIVATIVES AS IRAK4 INHIBITORS FOR TREATING CANCER Aurigene Discovery Technologies Limited (IN) 2019-04-10 EP disclosed