SCHEMBL5043095

SCHEMBL5043095

CN1CC2CC1CN2C(=O)c1n[nH]c2ccc(-c3nccs3)cc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 18/20 0.40
▸ GSK3B P49841 9/20 0.40
▸ WNT1 P04628 5/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ CLK2 P49760 2/20 0.36
▸ CLK3 P49761 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36

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
SCHEMBL1175688 1.00 DYRK1A (0.40) DYRK1AGSK3BWNT1CHEK1CLK2
Formic Acid SCHEMBL5562969 0.96 DYRK1A (0.38) DYRK1AGSK3BWNT1CHEK1CLK2
SCHEMBL1176364 0.93 CHEK1 (0.40) DYRK1AGSK3BCHEK1ABL1BCR
SCHEMBL1176658 0.93 CHEK1 (0.40) DYRK1AGSK3BCHEK1ABL1BCR
Formic Acid SCHEMBL5562752 0.89 CHEK1 (0.38) DYRK1AGSK3BCHEK1ABL1BCR
SCHEMBL1176326 0.86 TLR8 (0.37) DYRK1AGSK3BWNT1
SCHEMBL1176703 0.85 CHEK1 (0.40) DYRK1AGSK3BCHEK1ABL1BCR
SCHEMBL1175736 0.85 DYRK1A (0.42) DYRK1AGSK3BWNT1CHEK1
SCHEMBL1176807 0.85 DYRK1A (0.42) DYRK1AGSK3BWNT1CHEK1
SCHEMBL5043123 0.84 DYRK1A (0.48) DYRK1AGSK3BWNT1CLK2CLK3

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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