SCHEMBL14391073

SCHEMBL14391073

CN1CCCC2[C@H]1CN2C(=O)c1n[nH]c2ccc(-c3ccco3)cc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 18/20 0.44
▸ CDK2 P24941 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ WNT1 P04628 13/20 0.43
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL14391089 0.81 MAPT (0.46) DYRK1ACDK2WNT1MAPTMAPK1
SCHEMBL14391270 0.81 MAPT (0.46) DYRK1AWNT1MAPTMAPK1
SCHEMBL5047046 0.81 CDK2 (0.42) DYRK1ACDK2GSK3AWNT1
SCHEMBL1176497 0.81 CDK2 (0.42) DYRK1ACDK2GSK3AWNT1
SCHEMBL14390881 0.80 GSK3B (0.55) DYRK1AWNT1MAPTMAPK1
SCHEMBL14391091 0.79 HAO1 (0.43) DYRK1AWNT1MAPTMAPK1
Formic Acid SCHEMBL5561803 0.79 CDK2 (0.40) DYRK1ACDK2GSK3AWNT1
SCHEMBL14128895 0.77 CDK2 (0.43) DYRK1ACDK2GSK3AWNT1
SCHEMBL5044511 0.74 CDK2 (0.48) CDK2GSK3A
SCHEMBL1176625 0.74 CDK2 (0.48) CDK2GSK3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
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