SCHEMBL18171867

SCHEMBL18171867

C[C@@H](Nc1nnc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ IDH1 O75874 6/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ RPS6KB1 P23443 4/20 0.34
▸ EGFR P00533 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ ELANE P08246 2/20 0.34
▸ CTRB1 P17538 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL20445835 0.83 RPS6KB1 (0.48) IDH1RPS6KB1
SCHEMBL20445801 0.83 RPS6KB1 (0.48) IDH1RPS6KB1
SCHEMBL18171882 0.81 NUDT1 (0.40) LPLLIPG
SCHEMBL29002570 0.76 SOS1 (0.56) EGFR
SCHEMBL18171862 0.75 L3MBTL1 (0.43) RPS6KB1EGFRLCKADORA2AADORA2B
SCHEMBL24576525 0.74 GALR3 (0.58) EGFR
SCHEMBL29775101 0.74 GALR3 (0.58) EGFR
SCHEMBL24576519 0.74 GALR3 (0.58) EGFR
SCHEMBL5803847 0.73 LPL (0.54) LPLLIPG
SCHEMBL17439241 0.73 LIPG (0.43) LPLLIPGIDH1EGFR

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
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