SCHEMBL13069622

SCHEMBL13069622

CN1CCCCC2C[C@@H](NC(=O)c3n[nH]c4ccc(N)cc34)CC21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 18/20 0.55
▸ WNT1 P04628 12/20 0.53
▸ GSK3B P49841 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL13069595 0.85 GSK3B (0.58) DYRK1AWNT1GSK3B
SCHEMBL13069783 0.85 DYRK1A (0.50) DYRK1AWNT1GSK3BNPC1RAB9A
SCHEMBL13069184 0.83 DYRK1A (0.73) DYRK1AWNT1GSK3B
SCHEMBL13069629 0.82 DYRK1A (0.48) DYRK1AWNT1GSK3B
SCHEMBL2086924 0.81 DYRK1A (0.65) DYRK1AWNT1GSK3BNPC1RAB9A
SCHEMBL2086136 0.81 DYRK1A (0.65) DYRK1AWNT1GSK3BNPC1RAB9A
SCHEMBL13069604 0.81 DYRK1A (0.49) DYRK1AWNT1GSK3B
SCHEMBL2088141 0.81 DYRK1A (0.70) DYRK1AWNT1GSK3B
SCHEMBL13069189 0.81 DYRK1A (0.56) DYRK1AWNT1GSK3B
SCHEMBL4008423 0.80 NPC1 (0.68) DYRK1AWNT1NPC1RAB9A

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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