SCHEMBL18152353

SCHEMBL18152353

Nc1cnc(OC2CCN(C(=O)O)C2)c(-c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 7/20 0.43
▸ CTNNB1 P35222 7/20 0.43
▸ PIK3CD O00329 9/20 0.40
▸ HSD11B1 P28845 2/20 0.40
▸ CYP2C9 P11712 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ PIK3CA P42336 8/20 0.38
▸ PIK3CB P42338 5/20 0.37
▸ PIK3CG P48736 5/20 0.37

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
SCHEMBL18152351 1.00 BCL9 (0.43) BCL9CTNNB1PIK3CDHSD11B1CYP2C9
SCHEMBL18165166 0.86 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21062542 0.82 BCL9 (0.45) BCL9CTNNB1EPHX2
SCHEMBL21062541 0.82 BCL9 (0.45) BCL9CTNNB1EPHX2
SCHEMBL23456262 0.82 BCL9 (0.62) BCL9CTNNB1
SCHEMBL23456260 0.82 BCL9 (0.62) BCL9CTNNB1
SCHEMBL20021957 0.78 ALOX5AP (0.47) BCL9CTNNB1
SCHEMBL23456198 0.76 BCL9 (0.51) BCL9CTNNB1PIK3CDPIK3CAPIK3CB
SCHEMBL23456310 0.76 PIK3CD (0.49) BCL9CTNNB1PIK3CDPIK3CAPIK3CB
SCHEMBL18165167 0.76 PIK3CD (0.49) BCL9CTNNB1PIK3CDPIK3CAPIK3CB

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-2016168524-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-10-20 — — WO disclosed
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