SCHEMBL5047046

SCHEMBL5047046

CN1CC2CC1CN2C(=O)c1n[nH]c2ccc(-c3ccco3)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ DYRK1A Q13627 13/20 0.41
▸ WNT1 P04628 7/20 0.41
▸ GSK3B P49841 4/20 0.40
▸ CHEK1 O14757 2/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ NR4A2 P43354 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
SCHEMBL1176497 1.00 CDK2 (0.42) CDK2GSK3ADYRK1AWNT1GSK3B
Formic Acid SCHEMBL5561803 0.96 CDK2 (0.40) CDK2GSK3ADYRK1AWNT1GSK3B
SCHEMBL1176625 0.93 CDK2 (0.48) CDK2GSK3AGSK3BCHEK1GABRA1
SCHEMBL5044511 0.93 CDK2 (0.48) CDK2GSK3AGSK3BCHEK1GABRA1
Formic Acid SCHEMBL5556316 0.89 CDK2 (0.46) CDK2GSK3AGSK3BCHEK1NR4A2
SCHEMBL5042792 0.85 DYRK1A (0.56) DYRK1AWNT1GSK3B
SCHEMBL1176610 0.85 DYRK1A (0.56) DYRK1AWNT1GSK3B
SCHEMBL5563184 0.84 DYRK1A (0.40) DYRK1AWNT1GSK3B
SCHEMBL5048309 0.84 DYRK1A (0.42) GSK3ADYRK1AWNT1GSK3B
SCHEMBL14128895 0.84 CDK2 (0.43) CDK2GSK3ADYRK1AWNT1GSK3B

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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