SCHEMBL482216

SCHEMBL482216

NC(=O)C1C[C@H](n2c(=O)[nH]c3ncc(Br)nc32)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.46
MAP3K11 Q16584 3/20 0.41
EEF2K O00418 1/20 0.36

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
SCHEMBL481861 0.81 MTOR (0.67) MTORMAP3K11EEF2K
SCHEMBL481860 0.81 MTOR (0.67) MTORMAP3K11EEF2K
SCHEMBL976654 0.79 MAP3K11 (0.53) MTORMAP3K11EEF2K
SCHEMBL481716 0.76 MAP3K11 (0.51) MTORMAP3K11EEF2K
SCHEMBL481717 0.76 MAP3K11 (0.51) MTORMAP3K11EEF2K
SCHEMBL977455 0.75 MTOR (0.61) MTORMAP3K11
SCHEMBL977646 0.73 MTOR (0.63) MTORMAP3K11
SCHEMBL482194 0.71 MAP3K11 (0.49) MTORMAP3K11EEF2K
SCHEMBL482193 0.71 MAP3K11 (0.49) MTORMAP3K11EEF2K
SCHEMBL481624 0.66 MAP3K11 (0.41) MTORMAP3K11EEF2K

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
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed