SCHEMBL5042765

SCHEMBL5042765

Cc1csc(-c2ccc3c(C(=O)N4CC5CC4CN5C)n[nH]c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.40
▸ GSK3B P49841 3/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ HAO1 Q9UJM8 2/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ ATM Q13315 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ PAK1 Q13153 5/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ WNT1 P04628 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
SCHEMBL1175790 1.00 GRM5 (0.40) GRM5GSK3BDYRK1AHAO1JAK2
Formic Acid SCHEMBL5562025 0.97 GRM5 (0.38) GRM5GSK3BDYRK1AHAO1JAK2
SCHEMBL5046343 0.93 HAO1 (0.44) GRM5GSK3BDYRK1AHAO1WNT1
SCHEMBL1175808 0.93 HAO1 (0.44) GRM5GSK3BDYRK1AHAO1WNT1
Formic Acid SCHEMBL5561468 0.90 HAO1 (0.42) GRM5GSK3BDYRK1AHAO1WNT1
SCHEMBL1176680 0.84 CHEK1 (0.41) GRM5GSK3BDYRK1AJAK2JAK1
SCHEMBL5044696 0.84 CHEK1 (0.41) GRM5GSK3BDYRK1AJAK2JAK1
SCHEMBL1176364 0.84 CHEK1 (0.40) GRM5GSK3BDYRK1AJAK2JAK1
SCHEMBL1176658 0.84 CHEK1 (0.40) GRM5GSK3BDYRK1AJAK2JAK1
SCHEMBL1176338 0.84 DYRK1A (0.42) GRM5GSK3BDYRK1AJAK2JAK1

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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