SCHEMBL31138577

SCHEMBL31138577

CC(C)c1ccccc1-c1nc(OCc2cnc(-c3nc(C(F)(F)F)cn3C)c(F)c2)c2cn(C)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 19/20 0.44
▸ WDR48 Q8TAF3 2/20 0.37
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC5 Q9UQL6 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
SCHEMBL31138719 0.89 USP1 (0.44) USP1WDR48HDAC1HDAC6HDAC5
SCHEMBL31138511 0.81 USP1 (0.32) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL31138428 0.72 USP1 (0.37) USP1HDAC1HDAC6HDAC5
SCHEMBL31138509 0.71 USP1 (0.33) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL31155898 0.70 USP1 (0.62) USP1WDR48
SCHEMBL31138488 0.66 USP1 (0.33) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL31138518 0.66 USP1 (0.38) USP1HDAC6
SCHEMBL31254684 0.66 USP1 (0.55) USP1WDR48
SCHEMBL31138559 0.65 HDAC1 (0.33) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL27031479 0.64 USP1 (0.68) USP1WDR48

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
Send feedback