SCHEMBL17801030

SCHEMBL17801030

O=C(NC1CC1)c1cccc(-n2ncc3cc(-c4n[nH]c(CC(F)(F)F)n4)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.53
KHK P50053 4/20 0.46
NR3C1 P04150 12/20 0.45
MAPK8 P45983 3/20 0.41
MAPK10 P53779 3/20 0.41

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
SCHEMBL17801074 0.76 MAP3K5 (0.55) MAPK8MAPK10
SCHEMBL4219269 0.69 KHK (0.56) HPGDSKHK
SCHEMBL4219336 0.69 HPGDS (0.55) HPGDSKHK
SCHEMBL17801012 0.68 MAP3K5 (0.54) MAPK8MAPK10
SCHEMBL18013554 0.68 NR3C1 (0.55) HPGDSKHKNR3C1MAPK8MAPK10
SCHEMBL13623903 0.67 NR3C1 (0.60) HPGDSKHKNR3C1MAPK8MAPK10
SCHEMBL4225251 0.67 MAPK13 (0.53) HPGDS
SCHEMBL4229997 0.66 NR3C1 (0.58) HPGDSNR3C1MAPK10
SCHEMBL4220428 0.66 HPGDS (0.51) HPGDSKHK
SCHEMBL4222804 0.66 HPGDS (0.51) HPGDSKHK

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