SCHEMBL18171884

SCHEMBL18171884

C[C@H](c1ccccc1)N(C)c1cnc2cc(-c3ncnc4[nH]ccc34)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 7/20 0.57
JAK2 O60674 4/20 0.46
AAK1 Q2M2I8 1/20 0.45
JAK3 P52333 5/20 0.43
CSF1R P07333 3/20 0.43
AURKA O14965 2/20 0.43
DAPK3 O43293 2/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
PAK4 O96013 2/20 0.43
NTRK1 P04629 2/20 0.43
RET P07949 2/20 0.43
IGF1R P08069 2/20 0.43
MET P08581 2/20 0.43
PIM1 P11309 2/20 0.43
FGFR1 P11362 2/20 0.43
PRKACA P17612 2/20 0.43
FLT1 P17948 2/20 0.43
LTK P29376 2/20 0.43
GRK5 P34947 2/20 0.43

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
SCHEMBL18176290 0.86 RPS6KB1 (0.72) RPS6KB1
SCHEMBL18176396 0.86 RPS6KB1 (0.72) RPS6KB1
SCHEMBL18171866 0.82 RPS6KB1 (0.69) RPS6KB1JAK2AAK1JAK3CSF1R
Hydrochloric Acid SCHEMBL18171865 0.82 RPS6KB1 (0.68) RPS6KB1JAK2AAK1JAK3CSF1R
SCHEMBL18176367 0.77 RPS6KB1 (0.59) RPS6KB1
SCHEMBL18176365 0.77 RPS6KB1 (0.60) RPS6KB1
SCHEMBL18176559 0.76 RPS6KB1 (0.61) RPS6KB1
SCHEMBL18176399 0.75 RPS6KB1 (0.58) RPS6KB1
SCHEMBL18176553 0.75 RPS6KB1 (0.61) RPS6KB1
SCHEMBL780600 0.74 ROCK2 (0.42) RPS6KB1PIM1GRK5ROCK1ALK

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
WO-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed
WO-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed