SCHEMBL17801092

SCHEMBL17801092

O=C(O)c1cccc(-c2n[nH]c3ccc(-c4nc(CC(F)(F)F)n[nH]4)cc23)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 8/20 0.54
MAPK1 P28482 4/20 0.54
MAPK6 Q16659 4/20 0.54
MAPKAPK3 Q16644 3/20 0.54
MAP3K5 Q99683 3/20 0.44
MAPK8 P45983 2/20 0.42
TTK P33981 2/20 0.42
CSNK1D P48730 2/20 0.42
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDPK1 O15530 1/20 0.40
GPR84 Q9NQS5 2/20 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
SCHEMBL4176018 0.80 MAP2K4 (0.47) MAP2K4MAPK1MAPK6MAPKAPK3MAP3K5
SCHEMBL8365710 0.73 MAP3K5 (0.57) MAP3K5MAPK8CSNK1DMAPK10MAPK14
SCHEMBL8260308 0.73 CSNK1D (0.63) MAP2K4MAPK1MAPK6MAPKAPK3MAP3K5
SCHEMBL8254855 0.72 MAP3K5 (0.57) MAP3K5MAPK8CSNK1DMAPK10MAPK14
SCHEMBL5372266 0.72 MAP2K4 (0.63) MAP2K4MAPK1MAPK6MAPKAPK3MAP3K5
SCHEMBL5817740 0.72 CSNK1D (0.46) MAP2K4MAPK1MAPK6MAPKAPK3MAPK8
SCHEMBL2860093 0.72 MAP2K4 (0.71) MAP2K4MAPK1MAPK6MAPKAPK3MAP3K5
SCHEMBL22801827 0.71 MAP2K4 (1.00) MAP2K4MAPK1MAPK6MAPKAPK3MAPK8
SCHEMBL8252483 0.71 CSNK1D (0.75) MAP2K4MAP3K5MAPK8CSNK1DMAPK10
SCHEMBL8252492 0.71 MAP3K5 (0.53) MAP3K5CSNK1D

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