SCHEMBL13069617

SCHEMBL13069617

Cc1csc(-c2ccc3c(C(=O)N[C@@H]4CC5CCCN(C)C5C4)n[nH]c3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ PAK1 Q13153 2/20 0.43
▸ WNT1 P04628 8/20 0.42
▸ GSK3B P49841 3/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL13069257 0.94 DYRK1A (0.51) DYRK1AWNT1GSK3B
SCHEMBL13069130 0.85 USP30 (0.45) DYRK1AUSP30PAK1WNT1GSK3B
SCHEMBL2087684 0.85 DYRK1A (0.56) DYRK1AUSP30PAK1WNT1GSK3B
SCHEMBL2087949 0.85 DYRK1A (0.56) DYRK1AUSP30PAK1WNT1GSK3B
SCHEMBL2087666 0.85 DYRK1A (0.56) DYRK1AUSP30PAK1WNT1GSK3B
SCHEMBL14391201 0.81 HAO1 (0.38) DYRK1AUSP30PAK1WNT1GSK3B
SCHEMBL2218695 0.81 USP30 (0.41) DYRK1AUSP30PAK1WNT1GSK3B
SCHEMBL15199686 0.80 USP30 (0.41) DYRK1AUSP30PAK1WNT1GSK3B
SCHEMBL13069122 0.80 DYRK1A (0.44) DYRK1AUSP30PAK1WNT1GSK3B
SCHEMBL13069625 0.80 DYRK1A (0.52) 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
Send feedback