SCHEMBL25950980

SCHEMBL25950980

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ccn2C1CCC(COc2cc3ncc(Br)cc3cc2Cl)O1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.35
▸ EPHA2 P29317 3/20 0.32
▸ ERBB2 P04626 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ RORC P51449 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
SCHEMBL23892378 0.92 PDPK1 (0.35) PDPK1EPHA2BACE1
SCHEMBL23892620 0.91 PDPK1 (0.35) PDPK1EPHA2BACE1
SCHEMBL18571864 0.88 BCHE (0.34) BACE1
SCHEMBL23892497 0.88 PRMT5 (0.32) EPHA2ERBB2EPHB4
SCHEMBL23892224 0.88 PDPK1 (0.33) PDPK1BACE1RORC
SCHEMBL23892588 0.86 EPHA2 (0.31) PDPK1EPHA2ERBB2EPHB4
SCHEMBL18571900 0.83 PRMT5 (0.32) PDPK1
SCHEMBL22685227 0.82 PRMT5 (0.39) —
SCHEMBL23892636 0.82 PRMT5 (0.39) —
SCHEMBL23892223 0.81 PDPK1 (0.34) PDPK1

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
EP-4219496-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP disclosed
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