SCHEMBL20155506

SCHEMBL20155506

Cn1nc2c(-c3cc(N)ccc3Nc3c(F)cc(F)cc3F)cn(C)c(=O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.43
MAP2K1 Q02750 6/20 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
SCHEMBL20155149 0.86 BRD4 (0.46) BRD4MAP2K1
SCHEMBL20155619 0.85 BRD4 (0.46) BRD4MAP2K1
SCHEMBL20155728 0.84 BRD4 (0.43) BRD4MAP2K1
SCHEMBL20155745 0.81 BRD4 (0.47) BRD4
SCHEMBL20155630 0.80 BPTF (0.40) BRD4
SCHEMBL20155581 0.77 BRD4 (0.53) BRD4
SCHEMBL20155510 0.77 BRD4 (0.47) BRD4
SCHEMBL20155427 0.76 BRD4 (0.48) BRD4
SCHEMBL21904938 0.74 BRD4 (0.67) BRD4
SCHEMBL20155116 0.73 BRD4 (0.45) 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