SCHEMBL30976904

SCHEMBL30976904

CCOc1cc(N)c(C#N)nc1-c1cccc2c1ncn2C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.45
CTSK P43235 10/20 0.45
PKM P14618 1/20 0.42
GRM5 P41594 1/20 0.36
PDE3A Q14432 1/20 0.35
PIP4K2A P48426 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP8 P40818 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL30976919 0.89 CTSS (0.36) CTSSCTSKKDM4EUSP8
SCHEMBL30976849 0.88 CTSS (0.35) CTSSCTSKUSP8
SCHEMBL30976952 0.87 CTSS (0.36) CTSSCTSK
SCHEMBL30976858 0.85 CTSS (0.36) CTSSCTSKPKMUSP8
SCHEMBL30976911 0.84 USP8 (0.39) CTSSCTSKUSP8
SCHEMBL30976918 0.83 CTSS (0.34) CTSSCTSKUSP8
SCHEMBL30976826 0.83 ADORA2A (0.36) CTSSCTSKUSP8
SCHEMBL30976872 0.81 DDB1 (0.35) CTSSCTSKUSP8
SCHEMBL30976869 0.80 CTSS (0.43) CTSSCTSK
SCHEMBL30976917 0.74 USP8 (0.35) CTSSCTSKMAPTUSP8

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