SCHEMBL8057106

SCHEMBL8057106

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.47
▸ LDHA P00338 1/20 0.38
▸ LDHB P07195 1/20 0.38
▸ CSF1R P07333 2/20 0.38
▸ EGFR P00533 1/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ JAK3 P52333 2/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ 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

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
SCHEMBL8051613 0.88 RPS6KB1 (0.45) RPS6KB1LDHALDHBCSF1REGFR
SCHEMBL8053837 0.81 RPS6KB1 (0.47) RPS6KB1LDHALDHBCSF1REGFR
SCHEMBL8049902 0.78 RPS6KB1 (0.50) RPS6KB1LDHALDHBCSF1REGFR
SCHEMBL4956721 0.69 PDE8B (0.32) JAK3
SCHEMBL15354441 0.65 MAP4K4 (0.46) EGFRJAK2LMNAHTTPKM
SCHEMBL666702 0.64 RPS6KB1 (1.00) RPS6KB1
SCHEMBL10256310 0.64 RPS6KB1 (1.00) RPS6KB1
SCHEMBL15889091 0.64 MAP4K4 (0.39) EGFRADORA3LMNAHTTPKM
SCHEMBL13064911 0.62 HTT (0.38) EGFRLMNAHTTPKMHSD17B10
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
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