SCHEMBL16704170

SCHEMBL16704170

O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)[C@H]2C[C@@H](F)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 1.00
▸ MAPT P10636 9/20 1.00
▸ GSK3A P49840 12/20 0.84

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
SCHEMBL19558456 1.00 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL16710967 1.00 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL16710968 0.93 MAPT (1.00) GSK3BMAPTGSK3A
SCHEMBL19558485 0.93 MAPT (1.00) GSK3BMAPTGSK3A
SCHEMBL19558469 0.93 MAPT (1.00) GSK3BMAPTGSK3A
SCHEMBL16710978 0.91 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL31065686 0.91 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL16704086 0.85 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL16710993 0.84 GSK3B (0.85) GSK3BMAPTGSK3A
SCHEMBL19558471 0.84 GSK3B (0.85) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809573-B2 Substituted pyridine derivatives useful as GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-07 — — US disclosed
EP-3066092-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 — — EP disclosed
WO-2015069593-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO disclosed
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