SCHEMBL29592335

SCHEMBL29592335

Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCNCC2)c(=O)n4C)cn1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.80
▸ PIK3CA P42336 19/20 0.80
▸ PIK3CD O00329 1/20 0.69
▸ PIK3CG P48736 1/20 0.69

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
SCHEMBL2278174 1.00 MTOR (0.80) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2281483 0.89 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2286540 0.89 MTOR (0.81) MTORPIK3CA
SCHEMBL2285051 0.88 MTOR (1.00) MTORPIK3CA
SCHEMBL2283513 0.88 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2282553 0.88 PIK3CA (1.00) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2283506 0.88 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2284633 0.88 PIK3CA (1.00) MTORPIK3CA
SCHEMBL2282217 0.87 MTOR (1.00) MTORPIK3CA
SCHEMBL2284431 0.86 MTOR (0.81) MTORPIK3CA

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-2022047008-A1 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2022-03-03 — — WO disclosed
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