SCHEMBL31704643

SCHEMBL31704643

O=C(O)c1cnc(O[C@@H]2CCOC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
POLB P06746 1/20 0.42
PDE4D Q08499 11/20 0.38
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
XDH P47989 1/20 0.38
ATXN2 Q99700 1/20 0.38
LRRK2 Q5S007 2/20 0.38
GPR183 P32249 1/20 0.37
GRM5 P41594 2/20 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
SCHEMBL31705706 1.00 ACACB (0.46) ACACBPOLBPDE4DPDE4APDE4B
SCHEMBL797553 0.81 MAPT (0.47) ACACBPDE4DPDE4APDE4BPDE4C
SCHEMBL31704757 0.81 ACACB (0.46) ACACBPDE4DPDE4APDE4BPDE4C
SCHEMBL31704790 0.81 ACACB (0.46) ACACBPDE4DPDE4APDE4BPDE4C
SCHEMBL841376 0.79 HCAR3 (0.45) ACACBPDE4DPDE4APDE4BPDE4C
SCHEMBL17112460 0.78 ATXN2 (0.43) ACACBPDE4DPDE4APDE4BPDE4C
SCHEMBL29663877 0.78 ATXN2 (0.43) ACACBPDE4DPDE4APDE4BPDE4C
SCHEMBL26151979 0.78 AKT1 (0.43) ACACBLRRK2GRM5
SCHEMBL17112481 0.77 ATXN2 (0.58) ATXN2
SCHEMBL29950800 0.77 ACACB (0.42) ACACBPDE4DPDE4APDE4BPDE4C

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-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 WO disclosed