SCHEMBL18176583

SCHEMBL18176583

COc1cccc(CN(C)c2cnc3cc(-c4ncnc5[nH]ncc45)ccc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 17/20 0.61
CSF1R P07333 2/20 0.42
ROCK2 O75116 1/20 0.41
CYP2C9 P11712 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41

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
SCHEMBL18171883 0.88 RPS6KB1 (0.71) RPS6KB1
SCHEMBL18176551 0.88 RPS6KB1 (0.59) RPS6KB1CSF1R
Hydrochloric Acid SCHEMBL18171872 0.87 RPS6KB1 (0.58) RPS6KB1CSF1R
SCHEMBL18176555 0.83 RPS6KB1 (0.60) RPS6KB1
SCHEMBL18176278 0.83 RPS6KB1 (0.72) RPS6KB1
SCHEMBL18176559 0.82 RPS6KB1 (0.61) RPS6KB1
SCHEMBL780665 0.80 ROCK2 (0.58) ROCK2CYP2C9ROCK1CDC42BPA
SCHEMBL18176560 0.80 RPS6KB1 (0.58) RPS6KB1CSF1R
SCHEMBL20445828 0.76 RPS6KB1 (1.00) RPS6KB1
SCHEMBL18176579 0.75 RPS6KB1 (0.73) RPS6KB1

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