SCHEMBL13069122

SCHEMBL13069122

CN1CCCC2C[C@@H](NC(=O)c3n[nH]c4cc(-c5ncco5)ccc34)CC21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.44
▸ USP30 Q70CQ3 1/20 0.44
▸ WNT1 P04628 9/20 0.43
▸ PAK1 Q13153 1/20 0.42
▸ GSK3B P49841 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL2087530 0.85 DYRK1A (0.57) DYRK1AUSP30WNT1PAK1GSK3B
SCHEMBL2088158 0.85 DYRK1A (0.57) DYRK1AUSP30WNT1PAK1GSK3B
SCHEMBL2087526 0.85 DYRK1A (0.57) DYRK1AUSP30WNT1PAK1GSK3B
SCHEMBL13069130 0.81 USP30 (0.45) DYRK1AUSP30WNT1PAK1GSK3B
SCHEMBL13069617 0.80 DYRK1A (0.43) DYRK1AUSP30WNT1PAK1GSK3B
SCHEMBL2086638 0.78 DYRK1A (0.63) DYRK1AWNT1GSK3B
SCHEMBL2086641 0.78 DYRK1A (0.63) DYRK1AWNT1GSK3B
SCHEMBL12514627 0.78 USP30 (0.41) DYRK1AUSP30WNT1GSK3BRIPK1
SCHEMBL492293 0.78 CHRNA7 (0.63) USP30
SCHEMBL2086696 0.78 DYRK1A (0.67) 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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