SCHEMBL13944628

SCHEMBL13944628

CC1CSC(c2ccc3c(C(=O)NC4CC5CC4CN5)n[nH]c3c2)=N1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ PAK1 Q13153 4/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ DYRK1A Q13627 7/20 0.36
▸ WNT1 P04628 3/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL13923940 0.79 HAO1 (0.41) CHRNA7HTR3APAK1JAK2JAK1
SCHEMBL13923946 0.79 HAO1 (0.41) CHRNA7HTR3APAK1JAK2JAK1
SCHEMBL13923941 0.79 HAO1 (0.41) CHRNA7HTR3APAK1JAK2JAK1
SCHEMBL2086463 0.77 CHRNA7 (0.61) CHRNA7HTR3AUSP30NPC1RAB9A
Hydrochloric Acid SCHEMBL2085876 0.76 CHRNA7 (0.60) CHRNA7HTR3AUSP30NPC1RAB9A
SCHEMBL13923944 0.68 CHRNA7 (0.41) CHRNA7HTR3ADYRK1AWNT1CLK2
SCHEMBL13923943 0.68 CHRNA7 (0.41) CHRNA7HTR3ADYRK1AWNT1CLK2
SCHEMBL13923945 0.68 CHRNA7 (0.41) CHRNA7HTR3ADYRK1AWNT1CLK2
SCHEMBL4604965 0.67 CHRNA7 (0.62) CHRNA7HTR3ADYRK1AWNT1USP30
SCHEMBL4605684 0.67 CHRNA7 (0.62) CHRNA7HTR3ADYRK1AWNT1USP30

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
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 — — US disclosed
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