SCHEMBL21829045

SCHEMBL21829045

Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)cn1

nearest known ligand 0.95

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 0.95
▸ ATM Q13315 4/20 0.51
▸ PIK3CA P42336 2/20 0.51
▸ ATR Q13535 2/20 0.51
▸ PRKDC P78527 1/20 0.50

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
SCHEMBL16748285 0.98 MTOR (0.92) MTORATMPIK3CAATR
SCHEMBL16748262 0.98 MTOR (0.92) MTORATMPIK3CAATR
SCHEMBL16748286 0.98 MTOR (1.00) MTORATMPIK3CAATRPRKDC
SCHEMBL16748143 0.98 MTOR (1.00) MTORATMPIK3CAATRPRKDC
SCHEMBL16748266 0.98 MTOR (1.00) MTORATMPIK3CAATRPRKDC
SCHEMBL18091282 0.94 MTOR (0.84) MTORATMPIK3CAATR
SCHEMBL18157232 0.94 MTOR (0.84) MTORATMPIK3CAATR
SCHEMBL16748308 0.93 MTOR (0.91) MTORATMPIK3CAATR
SCHEMBL16748315 0.93 MTOR (0.91) MTORATMPIK3CAATRPRKDC
SCHEMBL18091301 0.92 MTOR (0.82) MTORATMPIK3CAATR

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-3072893-B1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF BEIJING FORELANDPHARMA CO LTD (CN) 2020-03-18 — — EP claimed
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