SCHEMBL28997487

SCHEMBL28997487

Nc1nc(N)n(-c2ccc(N3CCC(CN4CCCC4)C3)c(F)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.35
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HTR1A P08908 5/20 0.33
HTR7 P34969 4/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PDE10A Q9Y233 1/20 0.33
BPTF Q12830 1/20 0.32
BACE1 P56817 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PRKDC P78527 1/20 0.31
SYK P43405 1/20 0.31
F10 P00742 1/20 0.31
TPSAB1 Q15661 1/20 0.31

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
SCHEMBL28997485 1.00 AXL (0.35) AXLCASP1CASP4CASP5ADORA2A
SCHEMBL27790980 0.94 AXL (0.38) AXLCASP1CASP4CASP5ADORA2A
SCHEMBL13276198 0.86 ADORA2A (0.40) AXLCASP1CASP4CASP5ADORA2A
SCHEMBL467792 0.82 AXL (0.44) AXLADORA2AADORA1
SCHEMBL467659 0.80 AXL (0.49) AXL
SCHEMBL467688 0.79 AXL (0.40) AXLADORA2AADORA1KDM1A
SCHEMBL27769631 0.79 HPGD (0.38) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL28998140 0.78 FPR1 (0.35) AXLADORA2AMAOAMAOBF10
SCHEMBL467833 0.77 AXL (0.47) AXL
SCHEMBL28294929 0.76 KDM4E (0.43) HTR1AADRA1DADRA1AADRA1BBPTF

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