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Sugi Predict / Compounds / SCHEMBL27791109

SCHEMBL27791109

SCHEMBL27791109

CC(C)(C)C(=O)ON1CCCC(Cn2c(=O)[nH]c3ncc(Br)nc32)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 18/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ RICTOR Q6R327 1/20 0.41
▸ RPTOR Q8N122 1/20 0.41
▸ MAPKAP1 Q9BPZ7 1/20 0.41
▸ MLST8 Q9BVC4 1/20 0.41
▸ MAP3K11 Q16584 2/20 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
SCHEMBL482077 0.77 MTOR (0.64) MTORPIK3CAGSK3A
SCHEMBL481936 0.74 MTOR (0.54) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481937 0.74 MTOR (0.54) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481710 0.72 MAP3K11 (0.56) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481709 0.72 MAP3K11 (0.56) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481829 0.72 MTOR (0.54) MTORPIK3CAGSK3ARICTORRPTOR
SCHEMBL481950 0.71 MTOR (0.65) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL482040 0.70 MTOR (0.45) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481572 0.69 MTOR (0.57) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL28294099 0.69 ALDH1A1 (0.35) —

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
CN-101573360-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2009-11-04 — — CN disclosed