SCHEMBL30320353

SCHEMBL30320353

CC(Br)c1ccc(-c2nc(C(F)(F)F)cn2C(C)C)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 10/20 0.38
▸ WDR48 Q8TAF3 9/20 0.38
▸ PTGS2 P35354 7/20 0.35
▸ AKR1C3 P42330 3/20 0.33
▸ AKR1C2 P52895 3/20 0.33
▸ PTGS1 P23219 2/20 0.33

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
SCHEMBL25792088 1.00 USP1 (0.38) USP1WDR48PTGS2AKR1C3AKR1C2
SCHEMBL25248352 0.90 USP1 (0.37) USP1WDR48PTGS2AKR1C3AKR1C2
SCHEMBL25792707 0.88 USP1 (0.38) USP1WDR48PTGS2AKR1C3AKR1C2
SCHEMBL30320365 0.86 USP1 (0.36) USP1PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL25792103 0.86 USP1 (0.36) USP1PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL25298175 0.85 USP1 (0.37) USP1WDR48PTGS2AKR1C3AKR1C2
SCHEMBL30320363 0.84 PTGS2 (0.38) USP1WDR48PTGS2AKR1C3AKR1C2
SCHEMBL25792085 0.84 PTGS2 (0.38) USP1WDR48PTGS2AKR1C3AKR1C2
SCHEMBL25253047 0.84 USP1 (0.37) USP1PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL25254428 0.81 USP1 (0.44) USP1WDR48PTGS2

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
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
Send feedback