SCHEMBL30156972

SCHEMBL30156972

C#CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4ncccc34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.58
CTNNB1 P35222 2/20 0.57
TCF7 P36402 2/20 0.57
BCL9 O00512 1/20 0.57
TCF4 P15884 1/20 0.57
CLPP Q16740 1/20 0.57
CREBBP Q92793 1/20 0.57

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
SCHEMBL23804489 1.00 CYP3A4 (0.58) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL30343331 0.92 TCF4 (0.52) CYP3A4CTNNB1TCF4CLPP
SCHEMBL23804486 0.92 TCF4 (0.52) CYP3A4CTNNB1TCF4CLPP
SCHEMBL747054 0.91 CTNNB1 (0.57) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL763057 0.91 CTNNB1 (0.69) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL749449 0.88 CYP3A4 (0.52) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL10227750 0.88 CYP3A4 (0.54) CYP3A4
SCHEMBL12222064 0.88 CYP3A4 (0.55) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL750548 0.88 CTNNB1 (0.61) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL13712377 0.88 CTNNB1 (0.61) CYP3A4CTNNB1TCF7BCL9TCF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115835865-A CBP/catenin signal transmission path inhibitor and application thereof 3+2 制药有限责任公司 2023-03-21 CN disclosed
WO-2023027888-A1 PYRAZOLE-CONTAINING CBP/CATENIN ANTAGONISTS AND USES THEREOF 3+2 PHARMA, LLC (US) 2023-03-02 WO disclosed
EP-4117663-A1 CBP/CATENIN SIGNALING PATHWAY INHIBITORS AND USES THEREOF 3+2 Pharma LLC (US) 2023-01-18 EP disclosed