SCHEMBL31138747

SCHEMBL31138747

CCn1cc(C(F)(F)F)nc1-c1ncc(COc2nc(Cl)nc3ncccc23)cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 8/20 0.34
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC6 Q9UBN7 3/20 0.32
▸ HDAC5 Q9UQL6 3/20 0.32
▸ CCND1 P24385 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ GRM2 Q14416 1/20 0.30
▸ RXRA P19793 2/20 0.30
▸ GRIN1 Q05586 2/20 0.30
▸ GRIN2B Q13224 2/20 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
SCHEMBL31138428 0.90 USP1 (0.37) USP1HDAC1HDAC6HDAC5
SCHEMBL31138457 0.88 USP1 (0.41) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31138675 0.86 USP1 (0.33) USP1HDAC1HDAC6HDAC5CCND1
SCHEMBL31537668 0.85 USP1 (0.44) USP1
SCHEMBL31138553 0.80 USP1 (0.55) USP1
SCHEMBL31138572 0.79 USP1 (0.34) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31138588 0.77 DGAT1 (0.44) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31537624 0.77 USP1 (0.38) USP1
SCHEMBL31138511 0.76 USP1 (0.32) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31255045 0.71 USP1 (0.35) USP1HDAC6RXRAGRIN1GRIN2B

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-2024233605-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 — — WO disclosed
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