SCHEMBL20155427

SCHEMBL20155427

Cn1cc2c(=O)n(C)cc(-c3cc(N)ccc3Nc3ccc(F)cc3F)c2n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.48
MAPK14 Q16539 2/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20155185 0.91 BRD4 (0.42) BRD4
SCHEMBL20155619 0.91 BRD4 (0.46) BRD4
SCHEMBL20155737 0.90 BRD4 (0.47) BRD4
SCHEMBL20155644 0.89 BRD4 (0.45) BRD4MAPK14TSHRHSD17B10
SCHEMBL20155116 0.88 BRD4 (0.45) BRD4MAPK14TSHRHSD17B10
SCHEMBL20155651 0.86 BRD4 (0.43) BRD4MAPK14TSHRHSD17B10
SCHEMBL20155627 0.85 BRD4 (0.41) BRD4MAPK14
SCHEMBL20155659 0.84 BRD4 (0.46) BRD4
SCHEMBL21904958 0.84 BRD4 (0.66) BRD4
SCHEMBL20155149 0.84 BRD4 (0.46) 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