SCHEMBL20160422

SCHEMBL20160422

CCSNc1ccc(Oc2ccc(F)cc2F)c(-c2cc(NC3CCOCC3)c3nnc(C)n3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.42
GAK O14976 1/20 0.40
RPS6KA4 O75676 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1D P48730 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MAPK10 P53779 1/20 0.40
DDR1 Q08345 1/20 0.40
MAPK11 Q15759 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
COQ8A Q8NI60 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
STK36 Q9NRP7 1/20 0.40
NLK Q9UBE8 1/20 0.40
BRD4 O60885 5/20 0.36
BRD2 P25440 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
SCHEMBL20160421 0.88 BRD4 (0.50) BRD4BRD2BRD3BRDT
SCHEMBL20160319 0.85 BRD4 (0.40) BRD4BRD2BRD3BRDT
SCHEMBL20160343 0.85 LRRK2 (0.43) MAPK14BRD4BRD2BRD3BRDT
SCHEMBL20160005 0.84 BRD4 (0.39) BRD4BRD2BRD3BRDT
SCHEMBL20160094 0.84 BRD4 (0.38) MAPK14MAPK8BRD4BRD2BRD3
SCHEMBL20160232 0.83 BRD4 (0.39) BRD4BRD2BRD3BRDT
SCHEMBL20160041 0.82 BRD4 (0.39) MAPK14BRD4BRD2BRD3BRDT
SCHEMBL20160324 0.82 BRD4 (0.44) BRD4BRD2BRD3BRDT
SCHEMBL20160344 0.81 BRD4 (0.40) BRD4BRD2BRD3BRDT
SCHEMBL20160096 0.79 BRD4 (0.48) BRD4BRD2BRD3BRDT

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-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed