SCHEMBL14390878

SCHEMBL14390878

CN1CCCC2[C@H]1CN2C(=O)c1n[nH]c2cc(OC(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 12/20 0.41
▸ GSK3B P49841 11/20 0.41
▸ SLC6A4 P31645 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ RBP4 P02753 3/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 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
SCHEMBL5039120 0.80 DYRK1A (0.41) DYRK1AGSK3BRBP4CLK2CLK3
SCHEMBL1176208 0.80 DYRK1A (0.41) DYRK1AGSK3BRBP4CLK2CLK3
SCHEMBL14390877 0.78 PRKAB2 (0.43) DYRK1AGSK3BRBP4MAPTMAPK1
SCHEMBL1572932 0.78 DYRK1A (0.41) DYRK1AGSK3B
SCHEMBL14391089 0.78 MAPT (0.46) DYRK1AGSK3BRBP4MAPTMAPK1
SCHEMBL14391270 0.78 MAPT (0.46) DYRK1AGSK3BMAPTMAPK1CLK2
Formic Acid SCHEMBL5562792 0.77 DYRK1A (0.39) DYRK1AGSK3BRBP4CLK2CLK3
SCHEMBL14391094 0.75 GSK3B (0.47) DYRK1AGSK3BMAPTMAPK1
SCHEMBL14391202 0.75 DYRK1A (0.42) DYRK1AGSK3BMAPTMAPK1CLK2
SCHEMBL14391201 0.75 HAO1 (0.38) DYRK1AGSK3BMAPTMAPK1

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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