SCHEMBL20155507

SCHEMBL20155507

CN1C=C(c2cc(N)ccc2NCC2CC2)C(=N)C(=N)C1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.39
PTGER4 P35408 3/20 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
SCHEMBL20155486 0.84 ACHE (0.41) BRD4PTGER4
SCHEMBL20155632 0.76 BPTF (0.37) BRD4
SCHEMBL20155508 0.76 BRD4 (0.32) BRD4
SCHEMBL20155062 0.76 MAPK14 (0.39) BRD4
SCHEMBL20155727 0.74 NUDT1 (0.34) BRD4
SCHEMBL20155599 0.72 ACHE (0.37) BRD4PTGER4
SCHEMBL20155178 0.70 BRD4 (0.33) BRD4
SCHEMBL20155098 0.69 BRD4 (0.35) BRD4PTGER4
SCHEMBL20155586 0.68 BRD4 (0.36) BRD4
SCHEMBL20155085 0.68 BRD4 (0.34) 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