SCHEMBL16702490

SCHEMBL16702490

Cc1cc(C(CO)C2CC2)c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 0.53
▸ MAPT P10636 10/20 0.53
▸ GSK3A P49840 10/20 0.53
▸ BRAF P15056 1/20 0.39

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
SCHEMBL16702507 0.90 GSK3B (0.53) GSK3BMAPTGSK3ABRAF
SCHEMBL16702640 0.89 GSK3B (0.56) GSK3BMAPTGSK3ABRAF
SCHEMBL16702717 0.89 GSK3B (0.53) GSK3BMAPTGSK3ABRAF
SCHEMBL16702854 0.84 GSK3B (0.52) GSK3BMAPTGSK3ABRAF
SCHEMBL16702493 0.84 GSK3B (0.51) GSK3BMAPTGSK3ABRAF
SCHEMBL16712876 0.81 GSK3B (0.56) GSK3BMAPTGSK3ABRAF
SCHEMBL16712883 0.80 GSK3B (0.54) GSK3BMAPTGSK3ABRAF
SCHEMBL16703914 0.80 GSK3B (0.52) GSK3BMAPTGSK3A
SCHEMBL16702472 0.79 GSK3B (0.53) GSK3BMAPTGSK3ABRAF
SCHEMBL18086938 0.79 GSK3B (0.53) GSK3BMAPTGSK3A

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-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 — — EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO disclosed
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