SCHEMBL28338366

SCHEMBL28338366

[CH2]Cn1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.65
AURKA O14965 2/20 0.65
INCENP Q9NQS7 2/20 0.65
TPX2 Q9ULW0 2/20 0.65
GRM4 Q14833 1/20 0.60
JAK2 O60674 4/20 0.52
JAK3 P52333 3/20 0.52
IKBKB O14920 2/20 0.52
CHUK O15111 2/20 0.52
DAPK3 O43293 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PAK4 O96013 1/20 0.52
CSF1R P07333 1/20 0.52
RET P07949 1/20 0.52
IGF1R P08069 1/20 0.52
FGFR1 P11362 1/20 0.52
PRKACA P17612 1/20 0.52
FLT1 P17948 1/20 0.52
LTK P29376 1/20 0.52

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
SCHEMBL23543160 0.84 AURKB (0.66) AURKBAURKAINCENPTPX2GRM4
SCHEMBL20879725 0.84 AURKB (0.70) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99234 0.82 GRM4 (0.65) AURKBAURKAINCENPTPX2GRM4
SCHEMBL30009527 0.82 GRM4 (0.65) AURKBAURKAINCENPTPX2GRM4
SCHEMBL100071 0.82 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL29540304 0.82 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99209 0.82 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL104086 0.82 AURKB (0.56) AURKBAURKAINCENPTPX2GRM4
SCHEMBL29540954 0.82 AURKB (0.56) AURKBAURKAINCENPTPX2GRM4
SCHEMBL19062146 0.81 AURKB (0.62) AURKBAURKAINCENPTPX2GRM4

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-108137603-B Azetidine derivatives, preparation method and the usage 四川科伦博泰生物医药股份有限公司 2019-10-18 CN disclosed