SCHEMBL14391089

SCHEMBL14391089

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ DYRK1A Q13627 9/20 0.42
▸ WNT1 P04628 5/20 0.42
▸ GSK3B P49841 4/20 0.42
▸ CCNC P24863 5/20 0.40
▸ CDK8 P49336 5/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK16 Q00536 1/20 0.40
▸ RBP4 P02753 1/20 0.38

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
SCHEMBL14391270 0.89 MAPT (0.46) MAPTMAPK1DYRK1AWNT1GSK3B
SCHEMBL14391073 0.81 DYRK1A (0.44) MAPTMAPK1DYRK1AWNT1CDK2
SCHEMBL14391091 0.80 HAO1 (0.43) MAPTMAPK1DYRK1AWNT1GSK3B
SCHEMBL14390881 0.80 GSK3B (0.55) MAPTMAPK1DYRK1AWNT1GSK3B
SCHEMBL5042826 0.78 DYRK1A (0.39) MAPTMAPK1DYRK1AWNT1GSK3B
SCHEMBL2006524 0.78 DYRK1A (0.39) MAPTMAPK1DYRK1AWNT1GSK3B
SCHEMBL14390878 0.78 DYRK1A (0.41) MAPTMAPK1DYRK1AGSK3BRBP4
SCHEMBL14390877 0.77 PRKAB2 (0.43) MAPTMAPK1DYRK1AGSK3BCCNC
SCHEMBL14391202 0.74 DYRK1A (0.42) MAPTMAPK1DYRK1AWNT1GSK3B
SCHEMBL14391094 0.74 GSK3B (0.47) MAPTMAPK1DYRK1AWNT1GSK3B

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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