SCHEMBL5038862

SCHEMBL5038862

CN(C)c1ccc2c(C(=O)N3CC4CC3CN4C)n[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.39
▸ BCR P11274 2/20 0.39
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ HSP90AA1 P07900 5/20 0.35
▸ HSP90AB1 P08238 5/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ RBP4 P02753 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ EIF4A3 P38919 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
SCHEMBL1176553 1.00 ABL1 (0.39) ABL1BCRJAK2JAK1TYK2
Formic Acid SCHEMBL5562238 0.96 ABL1 (0.37) ABL1BCRJAK2JAK1TYK2
SCHEMBL1175579 0.92 DYRK1A (0.38) ABL1BCRHSP90AA1HSP90AB1GSK3B
SCHEMBL5044466 0.92 DYRK1A (0.38) ABL1BCRHSP90AA1HSP90AB1GSK3B
Formic Acid SCHEMBL5563354 0.88 DYRK1A (0.35) ABL1BCRHSP90AA1HSP90AB1GSK3B
SCHEMBL1176315 0.83 GSK3B (0.43) GSK3BRBP4
SCHEMBL5043738 0.83 GSK3B (0.43) GSK3BRBP4
SCHEMBL1176365 0.83 DYRK1A (0.39) ABL1BCRHSP90AA1HSP90AB1GSK3B
SCHEMBL5043108 0.82 GSK3B (0.42) GSK3BRBP4
Hydrochloric Acid SCHEMBL1176734 0.82 GSK3B (0.43) GSK3BRBP4

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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