SCHEMBL31010085

SCHEMBL31010085

[2H]c1cn(C)nc1C

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
SCHEMBL30995417 0.72
SCHEMBL31010025 0.69
SCHEMBL34466841 0.69
Phosphoric Acid SCHEMBL7647885 0.67 RAB9A (0.42)
SCHEMBL2390106 0.63 RAB9A (0.35)
SCHEMBL31010029 0.58
SCHEMBL8524530 0.54
SCHEMBL308140 0.54
SCHEMBL17553415 0.54
SCHEMBL13383094 0.53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4646410-A1 TUBULIN POLYMERIZATION INHIBITORS AB Science (FR) 2025-11-12 EP disclosed
WO-2024146923-A1 TUBULIN POLYMERIZATION INHIBITORS AB SCIENCE (FR) 2024-07-11 WO disclosed