SCHEMBL25857450

SCHEMBL25857450

CC(C)(O)C(=O)N1CCc2cc(-c3cnc4c(c3)C(Cl)=CC3CCC3C4)cc([C@@H]3COCCN3)c2C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.31
PIK3R1 P27986 2/20 0.30
PIK3CA P42336 2/20 0.30

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
SCHEMBL25839829 0.81 PIK3R1 (0.33) PIK3R1PIK3CA
SCHEMBL30491236 0.78 PAK1 (0.39) PIK3R1PIK3CA
SCHEMBL25848588 0.78 PAK1 (0.39) PIK3R1PIK3CA
SCHEMBL25848577 0.78 PAK1 (0.39) PIK3R1PIK3CA
SCHEMBL25303876 0.78 PIK3CG (0.38) PIK3R1PIK3CA
SCHEMBL25840001 0.78 PIK3R1 (0.32) PIK3R1PIK3CA
SCHEMBL30491374 0.78 PIK3CG (0.38) PIK3R1PIK3CA
SCHEMBL25303880 0.78 PIK3CG (0.38) PIK3R1PIK3CA
SCHEMBL25303151 0.77 RIPK1 (0.35) PIK3R1PIK3CA
SCHEMBL25302877 0.77 RIPK1 (0.35) PIK3R1PIK3CA

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed