SCHEMBL17801079

SCHEMBL17801079

O=C(Nc1cccc(-c2n[nH]c3ccc(-c4nc(C5CCCN5)n[nH]4)cc23)c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.49
CLK2 P49760 7/20 0.47
CLK3 P49761 7/20 0.47
DYRK1A Q13627 7/20 0.47
WNT1 P04628 8/20 0.46
AAK1 Q2M2I8 1/20 0.46
ITK Q08881 1/20 0.45
CSNK2A1 P68400 1/20 0.44

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
SCHEMBL17801086 0.85 PDPK1 (0.47) PDPK1CLK2CLK3DYRK1AWNT1
SCHEMBL17801072 0.84 CSNK1D (0.46) PDPK1CLK2DYRK1AAAK1ITK
SCHEMBL17801078 0.82 CSNK1D (0.49)
SCHEMBL17801071 0.81 MAP3K5 (0.54) DYRK1AWNT1
SCHEMBL2865036 0.79 PDPK1 (0.65) PDPK1AAK1ITKCSNK2A1
SCHEMBL17801075 0.79 PDPK1 (0.52) PDPK1
SCHEMBL17801100 0.79 WNT1 (0.44) PDPK1CLK2CLK3DYRK1AWNT1
SCHEMBL17801077 0.76 PARP1 (0.43) CLK2DYRK1A
SCHEMBL5381303 0.75 AAK1 (0.52) PDPK1CLK2CLK3DYRK1AWNT1
SCHEMBL5381639 0.74 AAK1 (0.59) PDPK1CLK2CLK3DYRK1AAAK1

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
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed