SCHEMBL25517541

SCHEMBL25517541

CCCc1nc(C(F)(F)F)cn1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.33
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL25520523 0.83 MAP3K12 (0.38) MAP3K12
SCHEMBL25467002 0.75 USP1 (0.34) MAP3K12
SCHEMBL25522141 0.75 GABRA2 (0.34) GABRA2GABRB2PDE10A
SCHEMBL25522267 0.72 MAP3K12 (0.36) MAP3K12
SCHEMBL23264161 0.72 MAP3K12 (0.33) MAP3K12
SCHEMBL24936214 0.71 WDR5 (0.41)
SCHEMBL25463482 0.71 MAP3K12 (0.51) MAP3K12
SCHEMBL23264473 0.67 MAP3K12 (0.35) MAP3K12
SCHEMBL23264163 0.66 MAP3K12 (0.53) MAP3K12
SCHEMBL31368695 0.65 USP1 (0.33)

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-2023083285-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed