SCHEMBL30453962

SCHEMBL30453962

CC(C)Oc1cccnc1N1CCOC[C@@H]1C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.48
ATRIP Q8WXE1 3/20 0.48
MTOR P42345 11/20 0.46
LRRK2 Q5S007 2/20 0.44
PDE4D Q08499 1/20 0.41

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
SCHEMBL25359834 1.00 ATR (0.48) ATRATRIPMTORLRRK2PDE4D
SCHEMBL25359841 1.00 ATR (0.48) ATRATRIPMTORLRRK2PDE4D
SCHEMBL30454261 0.86 MTOR (0.53) ATRATRIPMTOR
SCHEMBL30455141 0.86 MTOR (0.53) ATRATRIPMTOR
SCHEMBL25285572 0.86 MTOR (0.53) ATRATRIPMTOR
SCHEMBL25353363 0.86 MTOR (0.53) ATRATRIPMTOR
SCHEMBL25353367 0.86 MTOR (0.53) ATRATRIPMTOR
SCHEMBL30454213 0.79 CYP1A2 (0.49) ATRATRIPLRRK2
SCHEMBL25355866 0.79 CYP1A2 (0.49) ATRATRIPLRRK2
SCHEMBL25353561 0.78 MTOR (0.44) ATRATRIPMTORLRRK2

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-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed