SCHEMBL29324758

SCHEMBL29324758

CC(C)c1cnc2c(n1)C(=O)NC2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.36
KDM5B Q9UGL1 1/20 0.30
PARP16 Q8N5Y8 1/20 0.30
PARP3 Q9Y6F1 1/20 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
SCHEMBL17807816 0.72 KDM5B (0.31) KDM5B
SCHEMBL27386322 0.71 PARP16 (0.31) PARP16PARP3
SCHEMBL29338632 0.71 PARP1 (0.38) TYK2
SCHEMBL25737805 0.68 MKNK2 (0.42) TYK2PARP16PARP3
SCHEMBL7754905 0.68 LMNA (0.31) PARP16PARP3
SCHEMBL21477550 0.67
SCHEMBL3636926 0.67 PTGS1 (0.33)
SCHEMBL8180707 0.67 HPGD (0.35) TYK2PARP16PARP3
SCHEMBL18239105 0.67 CHEK1 (0.33) KDM5B
SCHEMBL12120570 0.67 KDM5B (0.30) KDM5B

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-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed