SCHEMBL5256762

SCHEMBL5256762

CN1C2CCC1CC(NC(=O)c1[nH]nc3cc(-c4ccc(F)cc4)ccc13)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ HTR3A P46098 10/20 0.47
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ WNT1 P04628 1/20 0.41
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL2086515 0.82 DYRK1A (0.65) DYRK1AGSK3BWNT1
SCHEMBL5247213 0.81 GSK3B (0.44) DYRK1AGSK3BHTR3AMEN1KMT2A
SCHEMBL2089776 0.80 DYRK1A (0.76) DYRK1AGSK3BWNT1
SCHEMBL5252333 0.74 GSK3B (0.48) DYRK1AGSK3BHTR3AMEN1KMT2A
SCHEMBL2088104 0.73 DYRK1A (0.69) DYRK1AGSK3BHTR3AWNT1
SCHEMBL2088885 0.72 DYRK1A (0.61) DYRK1AGSK3BMEN1KMT2AALDH1A1
SCHEMBL2088319 0.71 DYRK1A (0.77) DYRK1AGSK3BWNT1
SCHEMBL2086993 0.70 DYRK1A (0.72) DYRK1AGSK3BWNT1
SCHEMBL7506894 0.69 DYRK1A (0.64) DYRK1AGSK3BHTR3AWNT1HTR3E
SCHEMBL7364907 0.69 DYRK1A (0.64) DYRK1AGSK3BHTR3AWNT1HTR3E

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
EP-1742944-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-17 — — EP disclosed
WO-2006001894-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICAL CORPORATION (US) 2006-01-05 — — WO disclosed
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