SCHEMBL16702507

SCHEMBL16702507

O=C(Nc1cnc(Cl)cc1C(CO)C1CC1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.53
▸ GSK3A P49840 9/20 0.53
▸ MAPT P10636 7/20 0.53
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SCN9A Q15858 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ BRAF P15056 1/20 0.37

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
SCHEMBL16702854 0.94 GSK3B (0.52) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL16702490 0.90 GSK3B (0.53) GSK3BGSK3AMAPTBRAF
SCHEMBL16702472 0.89 GSK3B (0.53) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL16702640 0.89 GSK3B (0.56) GSK3BGSK3AMAPTPTGS1BRAF
SCHEMBL16702508 0.85 GSK3B (0.52) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL16702635 0.82 GSK3B (0.55) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL16702485 0.82 GSK3B (0.55) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL16712904 0.82 GSK3B (0.53) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL16702627 0.82 GSK3B (0.49) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL16702473 0.81 GSK3B (0.56) GSK3BGSK3AMAPTMEN1KMT2A

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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