SCHEMBL13923946

SCHEMBL13923946

Cc1csc(-c2ccc3c(C(=O)NC4CC5CC4CN5)n[nH]c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 2/20 0.41
▸ PAK1 Q13153 7/20 0.40
▸ CHRNA7 P36544 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ DYRK1A Q13627 4/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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 1.00 HAO1 (0.41) HAO1PAK1CHRNA7HTR3ADYRK1A
SCHEMBL13923941 1.00 HAO1 (0.41) HAO1PAK1CHRNA7HTR3ADYRK1A
SCHEMBL2087537 0.83 USP30 (0.40) HAO1PAK1CHRNA7HTR3ADYRK1A
SCHEMBL2087392 0.83 USP30 (0.40) HAO1PAK1CHRNA7HTR3ADYRK1A
SCHEMBL2088249 0.83 USP30 (0.40) HAO1PAK1CHRNA7HTR3ADYRK1A
SCHEMBL1963552 0.81 CHRNA7 (0.61) CHRNA7HTR3AUSP30
SCHEMBL5992868 0.81 CHRNA7 (0.61) CHRNA7HTR3AUSP30
SCHEMBL1967337 0.81 CHRNA7 (0.61) CHRNA7HTR3AUSP30
Hydrochloric Acid SCHEMBL1963645 0.80 CHRNA7 (0.60) CHRNA7HTR3AUSP30
SCHEMBL15107065 0.80 DYRK1A (0.38) HAO1PAK1CHRNA7HTR3ADYRK1A

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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