SCHEMBL5046343

SCHEMBL5046343

Cc1csc(-c2ccc3[nH]nc(C(=O)N4CC5CC4CN5C)c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 2/20 0.44
▸ GRM5 P41594 1/20 0.40
▸ DYRK1A Q13627 17/20 0.39
▸ GSK3B P49841 12/20 0.39
▸ WNT1 P04628 3/20 0.38
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37

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
SCHEMBL1175808 1.00 HAO1 (0.44) HAO1GRM5DYRK1AGSK3BWNT1
Formic Acid SCHEMBL5561468 0.97 HAO1 (0.42) HAO1GRM5DYRK1AGSK3BWNT1
SCHEMBL1175790 0.93 GRM5 (0.40) HAO1GRM5DYRK1AGSK3BWNT1
SCHEMBL5042765 0.93 GRM5 (0.40) HAO1GRM5DYRK1AGSK3BWNT1
Formic Acid SCHEMBL5562025 0.90 GRM5 (0.38) HAO1GRM5DYRK1AGSK3B
SCHEMBL1176539 0.84 DYRK1A (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL1175688 0.84 DYRK1A (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL5046675 0.84 DYRK1A (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL5043095 0.84 DYRK1A (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL1176398 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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