SCHEMBL30299377

SCHEMBL30299377

NC1=NC(N)(c2ccc(N3CCC(N)CC3)c(F)c2)NN1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PIM1 P11309 3/20 0.33
AKT2 P31751 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKCA P17252 1/20 0.32
HTR2B P41595 1/20 0.32
PRKCQ Q04759 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM1A O60341 5/20 0.31
GAA P10253 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE7A Q13946 1/20 0.30
HPGD P15428 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
SCHEMBL29929683 0.87 AXL (0.40) ALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL30090537 0.87 TNIK (0.36) GAA
SCHEMBL29928123 0.86 AXL (0.39) ALDH1A1SMN1; SMN2HRH3
SCHEMBL30299371 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL30299369 0.84 AXL (0.37) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL30299398 0.84 OPRM1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL30090654 0.84 PDE3B (0.34) PDE3BPDE3AALDH1A1LMNAMAPK1
SCHEMBL30299330 0.84 GAA (0.34) SMN1; SMN2GAAHPGD
SCHEMBL30299303 0.84 CYP17A1 (0.36) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL30299381 0.84 IP6K1 (0.32)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed