SCHEMBL25037814

SCHEMBL25037814

CCOC(=O)c1nn(CC2CCOCC2)cc(-c2ccc(F)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 14/20 0.44
MERTK Q12866 8/20 0.44
RIPK3 Q9Y572 1/20 0.42
MET P08581 6/20 0.42
DGAT1 O75907 1/20 0.42
SOAT1 P35610 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL29155030 0.94 LMNA (0.40) AXLMERTKRIPK3METDGAT1
SCHEMBL21185525 0.92 AXL (0.47) AXLMERTK
SCHEMBL25037802 0.86 AXL (0.43) AXLMERTKRIPK3MET
SCHEMBL21176856 0.84 IRAK4 (0.43) AXLMETDGAT1SOAT1NPC1
SCHEMBL21185436 0.80 PKM (0.44) AXLMERTKNPC1RAB9AGABRA2
SCHEMBL20351471 0.80 AXL (0.54) AXLMERTKMET
SCHEMBL25035781 0.80 SCD (0.40) AXLMERTKMET
SCHEMBL25037951 0.80 LMNA (0.46) NPC1LMNARAB9AGABRA2GABRB2
SCHEMBL21185430 0.80 AXL (0.45) AXLMERTK
SCHEMBL30499536 0.79 LMNA (0.51) NPC1LMNARAB9AGABRA2GABRB2

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