SCHEMBL19417859

SCHEMBL19417859

OC(Nc1cnccc1-c1ccccc1)c1ccnc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 0.43
▸ GSK3A P49840 14/20 0.43
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL19849273 0.75 SLC22A12 (0.40) GSK3BGSK3AMAPT
SCHEMBL19849337 0.75 RPS6KA3 (0.39) GSK3BGSK3AALDH1A1
SCHEMBL16702417 0.73 GSK3B (0.70) GSK3BGSK3AMAPT
SCHEMBL3151005 0.67 GSK3B (0.50) GSK3BGSK3AMAPTALDH1A1ALOX15
SCHEMBL3151007 0.67 GSK3B (0.50) GSK3BGSK3AMAPTALDH1A1ALOX15
SCHEMBL10514041 0.66 SMN1; SMN2 (0.47) ALDH1A1
SCHEMBL16702419 0.66 GSK3B (0.57) GSK3BGSK3AMAPTALDH1A1ALOX15
SCHEMBL24134560 0.64 RPS6KA3 (0.46) GSK3BGSK3AMAPTALDH1A1ALOX15
SCHEMBL12097403 0.64 KDM4C (0.49) GSK3BGSK3AMAPTALDH1A1ALOX15
SCHEMBL20190114 0.64 GSK3A (0.73) GSK3BGSK3AMAPTALDH1A1ALOX15

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-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
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