SCHEMBL30001320

SCHEMBL30001320

Cc1cc(Br)ccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 11/20 0.77
GSK3B P49841 1/20 0.77
MTOR P42345 1/20 0.51
SORT1 Q99523 1/20 0.51
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CNR2 P34972 1/20 0.43
NR1I2 O75469 1/20 0.42

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
SCHEMBL24695893 1.00 WNT3A (0.77) WNT3AGSK3BMTORSORT1NPC1
SCHEMBL24695895 0.92 WNT3A (0.77) WNT3AGSK3BMTORSORT1NPC1
SCHEMBL30002006 0.92 WNT3A (0.77) WNT3AGSK3BMTORSORT1NPC1
SCHEMBL20604145 0.90 WNT3A (0.80) WNT3AGSK3BMTORNPC1RAB9A
SCHEMBL30387465 0.90 WNT3A (0.80) WNT3AGSK3BMTORNPC1RAB9A
SCHEMBL24695178 0.89 WNT3A (0.79) WNT3AGSK3BMTORSORT1NPC1
SCHEMBL20604123 0.88 WNT3A (0.77) WNT3AGSK3BMTORSORT1NPC1
SCHEMBL20604161 0.87 WNT3A (1.00) WNT3AGSK3BMTORNPC1RAB9A
SCHEMBL30001809 0.87 WNT3A (1.00) WNT3AGSK3BMTORNPC1RAB9A
SCHEMBL30388050 0.87 WNT3A (1.00) WNT3AGSK3BMTORNPC1RAB9A

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
EP-4346811-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE University of Maryland, Baltimore (US) 2024-04-10 EP disclosed
WO-2022256419-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-08 WO disclosed