SCHEMBL30976872

SCHEMBL30976872

Cn1cnc2c(-c3nc(C#N)c(N)cc3C3CC3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
CTSS P25774 6/20 0.33
CTSK P43235 4/20 0.33
FLT3 P36888 1/20 0.32
CYP17A1 P05093 2/20 0.32
IKBKB O14920 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
USP8 P40818 1/20 0.31
MBOAT4 Q96T53 1/20 0.31

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
SCHEMBL30976911 0.84 USP8 (0.39) CTSSCTSKCYP17A1USP8
SCHEMBL30976826 0.83 ADORA2A (0.36) CTSSCTSKCYP17A1USP8
SCHEMBL30976904 0.81 CTSS (0.45) CTSSCTSKUSP8
SCHEMBL30976919 0.81 CTSS (0.36) CTSSCTSKUSP8
SCHEMBL30976918 0.81 CTSS (0.34) CTSSCTSKCYP17A1IKBKBUSP8
SCHEMBL30976858 0.81 CTSS (0.36) CTSSCTSKCYP17A1USP8
SCHEMBL30976869 0.80 CTSS (0.43) CTSSCTSK
SCHEMBL30976849 0.79 CTSS (0.35) CTSSCTSKUSP8
SCHEMBL30976952 0.78 CTSS (0.36) CTSSCTSKMBOAT4
SCHEMBL30206278 0.66 DDB1 (0.37) DDB1CRBNFLT3CYP17A1

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-2024140679-A1 SPIROCYCLIC HPK1 ANTAGONISTS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-07-04 WO disclosed