SCHEMBL31254592

SCHEMBL31254592

COc1cnc(Cl)nc1OCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 17/20 0.40
▸ WDR48 Q8TAF3 13/20 0.40
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32

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
SCHEMBL31155879 0.84 USP1 (0.51) USP1WDR48
SCHEMBL31254619 0.84 USP1 (0.37) USP1WDR48ALDH1A1GAA
SCHEMBL31138614 0.80 USP1 (0.35) USP1WDR48
SCHEMBL31254876 0.80 USP1 (0.59) USP1WDR48
SCHEMBL31254707 0.77 USP1 (0.45) USP1
SCHEMBL31138705 0.76 USP1 (0.37) USP1WDR48
SCHEMBL31138473 0.76 USP1 (0.40) USP1WDR48RXRAGRIN1GRIN2B
SCHEMBL31254883 0.76 USP1 (0.43) USP1WDR48
SCHEMBL31254943 0.75 USP1 (0.44) USP1WDR48
SCHEMBL31254615 0.73 USP1 (0.48) USP1WDR48RXRAGRIN1GRIN2B

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-2024233665-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 — — WO disclosed
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