SCHEMBL4736367

SCHEMBL4736367

CCOC(=O)N1CCN(c2nc(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c3cc(C)ccc3n2)CC1.Cc1ccc2nc(N(C)C)nc(NCc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2c1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 20/20 0.83
TCF7L2 Q9NQB0 20/20 0.83

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
SCHEMBL4184865 0.91 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4176768 0.86 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4170234 0.83 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4178349 0.83 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4176001 0.82 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4165725 0.82 CTNNB1 (0.88) CTNNB1TCF7L2
SCHEMBL4177059 0.82 CTNNB1 (0.98) CTNNB1TCF7L2
SCHEMBL4181809 0.81 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4175982 0.81 CTNNB1 (1.00) CTNNB1TCF7L2
SCHEMBL4170809 0.78 CTNNB1 (1.00) CTNNB1TCF7L2

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-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 WO claimed