SCHEMBL16704094

SCHEMBL16704094

CC(C)(O)c1ccncc1NC(=O)c1ccnc(I)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 0.67
▸ MAPT P10636 14/20 0.67
▸ GSK3A P49840 6/20 0.51

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
SCHEMBL18107518 0.86 GSK3B (0.66) GSK3BMAPTGSK3A
SCHEMBL16710985 0.81 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL2379693 0.70 PLK1 (0.49) —
SCHEMBL16701998 0.69 GSK3B (0.52) GSK3BMAPTGSK3A
SCHEMBL16702781 0.68 GSK3B (1.00) GSK3BMAPTGSK3A
SCHEMBL19417885 0.68 GSK3B (0.63) GSK3BMAPTGSK3A
SCHEMBL2997220 0.67 KDM4E (0.55) MAPT
SCHEMBL31354740 0.67 MAP2K1 (0.48) GSK3BMAPT
SCHEMBL18107534 0.66 GSK3B (0.65) GSK3BMAPTGSK3A
SCHEMBL16704172 0.66 GSK3B (0.68) 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-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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