SCHEMBL17801077

SCHEMBL17801077

Cc1c(C(N)=O)cccc1-c1n[nH]c2ccc(-c3nc(C4CCCN4)n[nH]3)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.43
PARP2 Q9UGN5 6/20 0.43
MAP2K4 P45985 2/20 0.38
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
PARP3 Q9Y6F1 1/20 0.35
MAP3K5 Q99683 1/20 0.35

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
SCHEMBL17801078 0.78 CSNK1D (0.49) MAP2K4MAPK1MAPKAPK3MAPK6MAP3K5
SCHEMBL17801071 0.77 MAP3K5 (0.54) DYRK1AMAP3K5
SCHEMBL17801075 0.77 PDPK1 (0.52) MAP2K4MAP3K5
SCHEMBL17801079 0.76 PDPK1 (0.49) CLK2DYRK1A
SCHEMBL17801072 0.75 CSNK1D (0.46) MAP2K4MAP4K4CLK2DYRK1AAURKB
SCHEMBL17801051 0.74 PARP1 (0.44) PARP1PARP2MAP2K4MAP4K4CSF1R
SCHEMBL17801050 0.69 MAP2K4 (0.53) PARP1PARP2MAP2K4PIM1MAPK1
SCHEMBL17801053 0.63 MAP3K5 (0.55) DYRK1AMAP3K5
SCHEMBL27617306 0.62 MAP2K4 (0.49) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL2955892 0.62 PARP1 (0.54) PARP1PARP2MAP4K4CSF1RPIM1

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