SCHEMBL30795151

SCHEMBL30795151

Cc1cc(N2CCOC[C@H]2C)nc(C2CC2)c1C(=O)NCCCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.40
ATRIP Q8WXE1 4/20 0.40
RAF1 P04049 4/20 0.39
BRAF P15056 4/20 0.39
PIK3CA P42336 6/20 0.38
PIK3CD O00329 4/20 0.38
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
MTOR P42345 2/20 0.36
CHEK1 O14757 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL2130229 1.00 ATR (0.40) ATRATRIPRAF1BRAFPIK3CA
SCHEMBL2131386 0.88 KDM4E (0.42) RAF1BRAF
SCHEMBL30796710 0.88 KDM4E (0.42) RAF1BRAF
SCHEMBL19712396 0.86 ATR (0.42) ATRATRIPRAF1BRAFPIK3CA
SCHEMBL2130854 0.86 RAF1 (0.39) ATRATRIPRAF1BRAFPIK3CA
SCHEMBL30794713 0.86 RAF1 (0.39) ATRATRIPRAF1BRAFPIK3CA
SCHEMBL2129580 0.86 RAF1 (0.39) ATRATRIPRAF1BRAFPIK3CA
SCHEMBL2132941 0.86 ATR (0.40) ATRATRIPRAF1BRAFPIK3CA
SCHEMBL2129803 0.86 RAF1 (0.39) ATRATRIPRAF1BRAFPIK3CA
SCHEMBL30795521 0.85 GBA1 (0.41) RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed