SCHEMBL8051613

SCHEMBL8051613

CC(Nc1ncnc2[nH]c(CBr)nc12)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.45
▸ CSF1R P07333 2/20 0.38
▸ LDHA P00338 1/20 0.36
▸ LDHB P07195 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ GRK6 P43250 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ LCK P06239 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PLK1 P53350 1/20 0.32

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
SCHEMBL8057106 0.88 RPS6KB1 (0.47) RPS6KB1CSF1RLDHALDHBEGFR
SCHEMBL8053837 0.84 RPS6KB1 (0.47) RPS6KB1CSF1RLDHALDHBEGFR
SCHEMBL8049902 0.76 RPS6KB1 (0.50) RPS6KB1CSF1RLDHALDHBEGFR
SCHEMBL15354441 0.65 MAP4K4 (0.46) EGFRLMNAHTTPKMHSD17B10
SCHEMBL15889091 0.64 MAP4K4 (0.39) EGFRLMNAHTTPKMHSD17B10
SCHEMBL666702 0.62 RPS6KB1 (1.00) RPS6KB1AURKB
SCHEMBL10256310 0.62 RPS6KB1 (1.00) RPS6KB1AURKB
SCHEMBL13064911 0.62 HTT (0.38) EGFRLMNAHTTPKMHSD17B10
SCHEMBL240657 0.61 TP53 (0.41) RPS6KB1EGFRHIF1ALMNAHTT
SCHEMBL239850 0.61 TP53 (0.41) RPS6KB1EGFRHIF1ALMNAHTT

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-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 — — WO disclosed
Send feedback