SCHEMBL25035781

SCHEMBL25035781

O=C(O)c1nn(CC2CCOC2)cc(-c2ccc(F)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.40
AXL P30530 12/20 0.39
MET P08581 10/20 0.39
NAMPT P43490 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MERTK Q12866 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ROCK1 Q13464 2/20 0.36

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
SCHEMBL25037802 0.94 AXL (0.43) AXLMETMERTK
SCHEMBL29155030 0.86 LMNA (0.40) AXLMETMERTKIRAK4
SCHEMBL21185430 0.83 AXL (0.45) AXLMERTK
SCHEMBL25037814 0.80 AXL (0.44) AXLMETMERTK
SCHEMBL20351792 0.79 AXL (0.51) AXLMETMERTK
SCHEMBL21177259 0.77 IRAK4 (0.48) AXLMETJAK1IRAK4
SCHEMBL20351580 0.74 AXL (0.52) AXLMETMERTK
SCHEMBL25035766 0.73 ALDH1A1 (0.40) MET
SCHEMBL25035756 0.73 ACHE (0.39)
SCHEMBL23159770 0.73 ALDH1A1 (0.39)

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
CN-117561260-A Heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-02-13 CN disclosed
WO-2023016296-A1 HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-02-16 WO disclosed