SCHEMBL30299346

SCHEMBL30299346

NC1=NC(N)(c2ccc(N3CCN(CC4CC4)CC3)nc2)NN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.36
PARP1 P09874 2/20 0.36
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CHRM4 P08173 1/20 0.34
AURKA O14965 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
AXL P30530 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
MERTK Q12866 1/20 0.34
LRRK2 Q5S007 1/20 0.34
TRPC5 Q9UL62 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
PIM1 P11309 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
SCHEMBL30299360 0.84 LRRK2 (0.39) LRRK2
SCHEMBL30299262 0.82 HRH4 (0.39)
SCHEMBL30299373 0.79 HRH3 (0.37) RET
SCHEMBL30299303 0.79 CYP17A1 (0.36) PARP1CASP1CASP4CASP5DRD2
SCHEMBL30299364 0.77 TLR9 (0.36)
SCHEMBL30299385 0.77 KCNH2 (0.37)
SCHEMBL30299402 0.76 CASP1 (0.36) CASP1CASP4CASP5CHRM4MERTK
SCHEMBL30299403 0.75 MAP4K4 (0.34)
SCHEMBL22279047 0.74 GRIN2D (0.44) RETPARP1CASP1CASP4CASP5
SCHEMBL30299363 0.72 HRH3 (0.41) DRD2DRD3

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-116075303-A Method of selecting patients treated with a combination of an AXL inhibitor and an immune checkpoint modulator 卑尔根生物股份公司 2023-05-05 CN disclosed
CN-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed