SCHEMBL14391091

SCHEMBL14391091

Cc1csc(-c2ccc3[nH]nc(C(=O)N4C[C@@H]5C4CCCN5C)c3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 2/20 0.43
▸ DYRK1A Q13627 14/20 0.42
▸ GSK3B P49841 7/20 0.42
▸ WNT1 P04628 6/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39

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
SCHEMBL14391201 0.93 HAO1 (0.38) HAO1DYRK1AGSK3BWNT1MAPT
SCHEMBL1175808 0.82 HAO1 (0.44) HAO1DYRK1AGSK3BWNT1CLK2
SCHEMBL5046343 0.82 HAO1 (0.44) HAO1DYRK1AGSK3BWNT1CLK2
SCHEMBL1572791 0.81 HAO1 (0.45) HAO1DYRK1AGSK3BWNT1CLK2
SCHEMBL13069257 0.81 DYRK1A (0.51) DYRK1AGSK3BWNT1
SCHEMBL14391270 0.80 MAPT (0.46) DYRK1AGSK3BWNT1MAPTMAPK1
SCHEMBL14391089 0.80 MAPT (0.46) DYRK1AGSK3BWNT1MAPTMAPK1
Formic Acid SCHEMBL5561468 0.79 HAO1 (0.42) HAO1DYRK1AGSK3BWNT1CLK2
SCHEMBL14391073 0.79 DYRK1A (0.44) DYRK1AWNT1MAPTMAPK1
SCHEMBL14391202 0.77 DYRK1A (0.42) DYRK1AGSK3BWNT1MAPTMAPK1

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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