SCHEMBL25037802

SCHEMBL25037802

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 15/20 0.43
MET P08581 12/20 0.43
MERTK Q12866 3/20 0.42
RIPK3 Q9Y572 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL25035781 0.94 SCD (0.40) AXLMETMERTK
SCHEMBL21185430 0.89 AXL (0.45) AXLMERTK
SCHEMBL25037814 0.86 AXL (0.44) AXLMETMERTKRIPK3
SCHEMBL21177259 0.81 IRAK4 (0.48) AXLMETHDAC1HDAC2PRKAB2
SCHEMBL29155030 0.80 LMNA (0.40) AXLMETMERTKRIPK3
SCHEMBL25037803 0.79 BRD4 (0.33) CNR1CNR2
SCHEMBL18860356 0.78 AXL (0.56) AXLMETMERTK
SCHEMBL21185525 0.77 AXL (0.47) AXLMERTK
SCHEMBL21185622 0.76 AXL (0.36) AXLMERTK
SCHEMBL30136528 0.76 CREBBP (0.42) AXLMETMERTKRIPK3

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 3 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
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