SCHEMBL4786673

SCHEMBL4786673

CCCCN(C(=O)C1CCNCC1)c1ccc(CNc2nc(N(C)C)nc3cc(C)ccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 20/20 0.59
TCF7L2 Q9NQB0 20/20 0.59

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
SCHEMBL4786955 0.90 CTNNB1 (0.57) CTNNB1TCF7L2
SCHEMBL4737321 0.89 CTNNB1 (0.59) CTNNB1TCF7L2
SCHEMBL4738749 0.88 CTNNB1 (0.61) CTNNB1TCF7L2
SCHEMBL4738638 0.87 CTNNB1 (0.59) CTNNB1TCF7L2
SCHEMBL4739570 0.87 CTNNB1 (0.61) CTNNB1TCF7L2
SCHEMBL4740247 0.87 CTNNB1 (0.62) CTNNB1TCF7L2
SCHEMBL4738982 0.87 CTNNB1 (0.59) CTNNB1TCF7L2
SCHEMBL4737711 0.85 CTNNB1 (0.60) CTNNB1TCF7L2
SCHEMBL4739655 0.85 CTNNB1 (0.61) CTNNB1TCF7L2
SCHEMBL4740044 0.85 CTNNB1 (0.60) 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 2 patents. 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
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 disclosed