SCHEMBL5039448

SCHEMBL5039448

Cc1ccc(-c2ccc3c(C(=O)N4CC5CC4CN5C)n[nH]c3c2)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.38
▸ JAK1 P23458 3/20 0.38
▸ TYK2 P29597 3/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ DYRK1A Q13627 7/20 0.37
▸ GSK3B P49841 6/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ PAK1 Q13153 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ AXL P30530 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
SCHEMBL1176152 1.00 JAK2 (0.38) JAK2JAK1TYK2JAK3DYRK1A
Formic Acid SCHEMBL5563840 0.96 JAK2 (0.36) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL1175540 0.93 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3
SCHEMBL5038892 0.93 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3
Formic Acid SCHEMBL5562289 0.90 DYRK1A (0.39) DYRK1AGSK3BCLK2CLK3
SCHEMBL5044696 0.88 CHEK1 (0.41) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL1176680 0.88 CHEK1 (0.41) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL5048316 0.87 DYRK1A (0.42) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL1176338 0.87 DYRK1A (0.42) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL1176466 0.87 CDK2 (0.48) JAK2JAK1TYK2JAK3GSK3B

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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