SCHEMBL13069625

SCHEMBL13069625

CN1CCCC2C[C@@H](NC(=O)c3n[nH]c4ccc(-c5nccs5)cc34)CC21

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.52
▸ WNT1 P04628 12/20 0.51
▸ GSK3B P49841 2/20 0.49

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
SCHEMBL13069257 0.86 DYRK1A (0.51) DYRK1AWNT1GSK3B
SCHEMBL2086139 0.85 DYRK1A (0.63) DYRK1AWNT1GSK3B
SCHEMBL2086280 0.85 DYRK1A (0.63) DYRK1AWNT1GSK3B
SCHEMBL2087459 0.85 DYRK1A (0.67) DYRK1AWNT1GSK3B
SCHEMBL2087658 0.85 DYRK1A (0.67) DYRK1AWNT1GSK3B
SCHEMBL2087435 0.85 DYRK1A (0.67) DYRK1AWNT1GSK3B
SCHEMBL13069184 0.84 DYRK1A (0.73) DYRK1AWNT1GSK3B
SCHEMBL13069595 0.80 GSK3B (0.58) DYRK1AWNT1GSK3B
SCHEMBL12514838 0.80 DYRK1A (0.55) DYRK1AWNT1GSK3B
SCHEMBL13069622 0.80 DYRK1A (0.55) DYRK1AWNT1GSK3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 — — EP disclosed
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