Sugi Predict

Sugi Predict / Compounds / SCHEMBL20155550

SCHEMBL20155550

SCHEMBL20155550

CCS(=O)(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2F)c(-c2cn(C)c(=O)c3cn(C)nc23)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.45
▸ BRDT Q58F21 4/20 0.41
▸ BRD2 P25440 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ TSPO P30536 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ BRD3 Q15059 1/20 0.39

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
SCHEMBL20155426 0.90 BRD4 (0.51) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL20155628 0.88 BRD4 (0.47) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL20155626 0.85 BRD4 (0.47) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL20155758 0.83 BRD4 (0.46) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL20155735 0.82 BRD4 (0.53) BRD4BRDT
SCHEMBL20155764 0.81 BRD4 (0.49) BRD4BRDT
SCHEMBL20155609 0.81 BRD4 (0.44) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL20155169 0.80 BRD4 (0.46) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL20155189 0.80 BRD4 (0.46) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL20155716 0.79 BRD4 (0.47) BRD4BRDTBRD2ADORA2BTSPO

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