SCHEMBL20155149

SCHEMBL20155149

Cn1cc2c(-c3cc(N)ccc3Nc3c(F)cc(F)cc3F)cn(C)c(=O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.46
MAP2K1 Q02750 4/20 0.33
MAT2A P31153 1/20 0.31

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
SCHEMBL20155619 0.93 BRD4 (0.46) BRD4MAP2K1
SCHEMBL20155506 0.86 BRD4 (0.43) BRD4MAP2K1
SCHEMBL20155427 0.84 BRD4 (0.48) BRD4
SCHEMBL20155185 0.79 BRD4 (0.42) BRD4MAT2A
SCHEMBL20155737 0.78 BRD4 (0.47) BRD4MAP2K1MAT2A
SCHEMBL20155039 0.78 BRD4 (0.54) BRD4
SCHEMBL20155627 0.77 BRD4 (0.41) BRD4
SCHEMBL21904938 0.76 BRD4 (0.67) BRD4
SCHEMBL20155626 0.75 BRD4 (0.47) BRD4
SCHEMBL21904958 0.73 BRD4 (0.66) BRD4

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-2018086604-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