SCHEMBL5048316

SCHEMBL5048316

Cc1cnc(-c2ccc3c(C(=O)N4CC5CC4CN5C)n[nH]c3c2)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 9/20 0.42
▸ GSK3B P49841 8/20 0.42
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ AXL P30530 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ CLK2 P49760 2/20 0.36
▸ CLK3 P49761 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ CHRNA7 P36544 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ PAK1 Q13153 1/20 0.33

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
SCHEMBL1176338 1.00 DYRK1A (0.42) DYRK1AGSK3BJAK2JAK1TYK2
Formic Acid SCHEMBL5562423 0.97 DYRK1A (0.40) DYRK1AGSK3BJAK2JAK1TYK2
SCHEMBL1176398 0.93 DYRK1A (0.48) DYRK1AGSK3BCLK2CLK3
SCHEMBL5043123 0.93 DYRK1A (0.48) DYRK1AGSK3BCLK2CLK3
Formic Acid SCHEMBL5562437 0.90 DYRK1A (0.46) DYRK1AGSK3BCLK2CLK3
SCHEMBL5039448 0.87 JAK2 (0.38) DYRK1AGSK3BJAK2JAK1TYK2
SCHEMBL1176152 0.87 JAK2 (0.38) DYRK1AGSK3BJAK2JAK1TYK2
SCHEMBL1176364 0.84 CHEK1 (0.40) DYRK1AGSK3BJAK2JAK1TYK2
SCHEMBL1176658 0.84 CHEK1 (0.40) DYRK1AGSK3BJAK2JAK1TYK2
SCHEMBL5042765 0.84 GRM5 (0.40) DYRK1AGSK3BJAK2JAK1TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
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