SCHEMBL30976869

SCHEMBL30976869

Cn1cnc2c(-c3nc(C#N)c(N)cc3C(F)(F)F)cccc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.43
CTSK P43235 14/20 0.43
NSD2 O96028 1/20 0.36

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) CTSSCTSKNSD2
SCHEMBL30976826 0.84 ADORA2A (0.36) CTSSCTSKNSD2
SCHEMBL30976918 0.82 CTSS (0.34) CTSSCTSKNSD2
SCHEMBL30976919 0.82 CTSS (0.36) CTSSCTSKNSD2
SCHEMBL30976858 0.82 CTSS (0.36) CTSSCTSK
SCHEMBL30976952 0.81 CTSS (0.36) CTSSCTSK
SCHEMBL30976904 0.80 CTSS (0.45) CTSSCTSK
SCHEMBL30976849 0.80 CTSS (0.35) CTSSCTSK
SCHEMBL30976872 0.80 DDB1 (0.35) CTSSCTSK
SCHEMBL27249457 0.70 NR1H2 (0.44) CTSSCTSK

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