SCHEMBL30299402

SCHEMBL30299402

NC1=NC(N)(c2cnc(N3CCC(CN4CCCCC4)CC3)nc2)NN1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM4 P08173 2/20 0.32
EHMT2 Q96KQ7 1/20 0.31
TRPC5 Q9UL62 1/20 0.31
MELK Q14680 1/20 0.31
MERTK Q12866 1/20 0.30

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
SCHEMBL30299383 0.82 HRH3 (0.37)
SCHEMBL30299398 0.77 OPRM1 (0.34) CASP1CASP4CASP5SIRT2SIRT1
SCHEMBL30299346 0.76 RET (0.36) CASP1CASP4CASP5CHRM4TRPC5
SCHEMBL30299387 0.74 OPRM1 (0.31) CASP1CASP4CASP5
SCHEMBL15759139 0.72 CHRM5 (0.46) CASP1CASP4CASP5SIRT2SIRT1
SCHEMBL30299364 0.70 TLR9 (0.36)
SCHEMBL10264854 0.70 CASP1 (0.44) CASP1CASP4CASP5SIRT2SIRT1
SCHEMBL10203176 0.69 CASP1 (0.43) CASP1CASP4CASP5SIRT2SIRT1
SCHEMBL467901 0.68 CASP1 (0.43) CASP1CASP4CASP5SIRT2SIRT1
SCHEMBL30299279 0.68 LTA4H (0.36)

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