SCHEMBL29548355

SCHEMBL29548355

Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OC5CCN(CCN6CCNCC6)CC5)C4)nc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.36
ATM Q13315 9/20 0.35
ATR Q13535 6/20 0.35
MTOR P42345 8/20 0.34
PIK3CA P42336 7/20 0.34
GSK3B P49841 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
BMPR1B O00238 1/20 0.32
ACVR1B P36896 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 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
SCHEMBL27149004 1.00 TDO2 (0.36) TDO2ATMATRMTORPIK3CA
SCHEMBL27098363 1.00 TDO2 (0.36) TDO2ATMATRMTORPIK3CA
SCHEMBL29547248 0.91 TDO2 (0.41) TDO2ATMATRMTORPIK3CA
SCHEMBL20120391 0.91 TDO2 (0.41) TDO2ATMATRMTORPIK3CA
SCHEMBL20128928 0.91 TDO2 (0.41) TDO2ATMATRMTORPIK3CA
SCHEMBL29547284 0.91 TDO2 (0.41) TDO2ATMATRMTORPIK3CA
Hydrochloric Acid SCHEMBL29547386 0.90 TDO2 (0.41) TDO2ATMATRMTORPIK3CA
Hydrochloric Acid SCHEMBL27146420 0.90 TDO2 (0.41) TDO2ATMATRMTORPIK3CA
Hydrochloric Acid SCHEMBL27146421 0.90 TDO2 (0.41) TDO2ATMATRMTORPIK3CA
SCHEMBL27098360 0.89 ATM (0.37) TDO2ATMATRMTORPIK3CA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954801-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-05-09 CN disclosed
CN-114867727-B TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-02-21 CN disclosed
CN-114867727-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2022-08-05 CN disclosed
EP-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 EP disclosed