SCHEMBL31330481

SCHEMBL31330481

COC(=O)c1cc(-c2ccc(Cl)cc2F)nc(N2CCOC(c3cnn(C)c3)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.39
GSK3B P49841 8/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
PDE2A O00408 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.35
USP30 Q70CQ3 1/20 0.34
RAF1 P04049 2/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL34470619 1.00 P2RX7 (0.39) P2RX7GSK3BCYP1A2CYP2D6PDE2A
SCHEMBL34470594 0.92 GSK3B (0.43) P2RX7GSK3BCYP1A2CYP2D6USP30
SCHEMBL34470497 0.90 P2RX7 (0.38) P2RX7GSK3BCYP1A2CYP2D6PDE2A
SCHEMBL34470460 0.86 GSK3B (0.39) P2RX7GSK3BCYP1A2CYP2D6PDE2A
SCHEMBL31277984 0.86 GSK3B (0.39) P2RX7GSK3BCYP1A2CYP2D6PDE2A
SCHEMBL34470593 0.84 GSK3B (0.38) P2RX7GSK3BCYP1A2CYP2D6PDE2A
SCHEMBL31330662 0.84 P2RX7 (0.37) P2RX7GSK3BCYP1A2CYP2D6PDE2A
SCHEMBL34470911 0.84 P2RX7 (0.37) P2RX7GSK3BCYP1A2CYP2D6PDE2A
SCHEMBL34470523 0.83 PIK3CA (0.38) P2RX7GSK3BPDE2AEIF2AK4PIK3CA
SCHEMBL31330604 0.83 PIK3CA (0.38) P2RX7GSK3BPDE2AEIF2AK4PIK3CA

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-4720061-A1 TREM2 AGONISTS F. Hoffmann-La Roche AG (CH) 2026-04-08 EP disclosed
WO-2024246018-A1 TREM2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2024-12-05 WO disclosed