SCHEMBL23584607

SCHEMBL23584607

CSc1ncnn2c([C@H]3CC[C@@H](CN4CCC(F)(F)C[C@H]4CNC(=O)OC(C)(C)C)O3)ccc12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL23584740 0.93 SIRT2 (0.30) —
SCHEMBL23584486 0.90 DOT1L (0.33) —
SCHEMBL23584749 0.86 BRD4 (0.31) —
SCHEMBL19344074 0.84 — —
SCHEMBL23584694 0.83 CSNK2A2 (0.34) —
SCHEMBL23584789 0.81 — —
SCHEMBL23584487 0.81 — —
SCHEMBL23584485 0.81 BRD4 (0.33) —
SCHEMBL23584737 0.78 CNR2 (0.38) —
SCHEMBL19344067 0.78 — —

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-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 — — EP disclosed
Send feedback