SCHEMBL4737801

SCHEMBL4737801

Cc1cccc2c(NCCc3ccc(NC(=O)c4ccc(Cl)nc4)cc3)nc(Cl)nc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 14/20 0.55
TCF7L2 Q9NQB0 14/20 0.55
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4176645 0.91 CTNNB1 (0.65) CTNNB1TCF7L2
SCHEMBL4738857 0.90 CTNNB1 (0.70) CTNNB1TCF7L2
Hydrochloric Acid SCHEMBL4736410 0.89 CTNNB1 (0.69) CTNNB1TCF7L2
SCHEMBL4736957 0.87 CTNNB1 (0.65) CTNNB1TCF7L2
SCHEMBL4738362 0.82 CTNNB1 (0.61) CTNNB1TCF7L2RAB9ASMN1; SMN2
SCHEMBL4738259 0.82 CTNNB1 (0.69) CTNNB1TCF7L2RAB9ASMN1; SMN2
SCHEMBL4178332 0.81 CTNNB1 (0.80) CTNNB1TCF7L2
SCHEMBL4177266 0.81 CTNNB1 (0.81) CTNNB1TCF7L2RAB9ASMN1; SMN2MEN1
SCHEMBL4177270 0.81 CTNNB1 (0.81) CTNNB1TCF7L2RAB9ASMN1; SMN2MEN1
SCHEMBL4735863 0.78 CTNNB1 (0.67) 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 disclosed