SCHEMBL17801028

SCHEMBL17801028

CNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncc[nH]4)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.56
LRRK2 Q5S007 4/20 0.50
MAP2K4 P45985 2/20 0.50
TTK P33981 2/20 0.49
MAPK8 P45983 1/20 0.47
CDK7 P50613 1/20 0.47
MAPK1 P28482 2/20 0.47
MAP3K5 Q99683 5/20 0.47
MAP4K1 Q92918 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPK6 Q16659 1/20 0.46
CDK8 P49336 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5378125 0.83 CSNK1D (0.56) CSNK1DLRRK2MAP2K4TTKMAPK8
SCHEMBL6843665 0.79 MAP2K4 (0.62) CSNK1DMAP2K4TTKMAPK8MAPK1
SCHEMBL5383144 0.76 MAP3K8 (0.42) CSNK1DMAP2K4TTKMAPK8MAPK1
SCHEMBL17801078 0.76 CSNK1D (0.49) CSNK1DLRRK2MAP2K4TTKMAPK8
SCHEMBL17801025 0.75 LRRK2 (0.50) LRRK2TTK
SCHEMBL8259428 0.75 MAP3K5 (0.61) CSNK1DMAP2K4TTKMAPK8MAPK1
SCHEMBL5435640 0.75 AURKA (0.56) CSNK1DLRRK2MAP2K4TTKMAPK1
SCHEMBL8253947 0.74 MAP3K5 (0.55) CSNK1DMAP2K4TTKMAPK8MAPK1
SCHEMBL17801020 0.73 FLT3 (0.56) KDM4EALDH1A1
SCHEMBL8253769 0.73 MAP3K5 (0.59) CSNK1DMAP2K4TTKMAPK8MAPK1

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