SCHEMBL30299303

SCHEMBL30299303

NC1=NC(N)(c2ccc(N3CCN(CC4CC4)CC3)c(F)c2)NN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36
CYP11B1 P15538 1/20 0.36
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
DRD2 P14416 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM2 Q14416 2/20 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
SCHEMBL30299398 0.92 OPRM1 (0.34) CASP1CASP4CASP5TRPC5OPRM1
SCHEMBL30299387 0.86 OPRM1 (0.31) CASP1CASP4CASP5OPRM1OPRK1
SCHEMBL30299377 0.84 PDE3B (0.34) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL30299371 0.82 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL30299369 0.82 AXL (0.37) HTR1AALDH1A1LMNAMAPTMAPK1
SCHEMBL30090687 0.81 AXL (0.38) OPRM1OPRL1ALDH1A1LMNAMAPT
SCHEMBL29929683 0.80 AXL (0.40) ALDH1A1LMNA
SCHEMBL30090537 0.80 TNIK (0.36)
SCHEMBL29928123 0.79 AXL (0.39) ALDH1A1
SCHEMBL30299346 0.79 RET (0.36) CASP1CASP4CASP5TRPC5DRD2

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