SCHEMBL25911532

SCHEMBL25911532

C[SH](C)c1cnc(C2CC2)c(N)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 5/20 0.32
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL26783151 0.77 PDE10A (0.36) USP2GAAMAPTALOX15GFER
SCHEMBL31274085 0.72 MAPKAPK2 (0.37) USP2GAAMAPTALOX15GFER
SCHEMBL25910817 0.71 NOS3 (0.32) USP2GAAMAPTALOX15GFER
SCHEMBL25911533 0.69
SCHEMBL22342855 0.69 HRH2 (0.39)
SCHEMBL17375384 0.66 USP7 (0.36) USP2GAAMAPTALOX15GFER
SCHEMBL30987664 0.66 USP7 (0.36) USP2GAAMAPTALOX15GFER
SCHEMBL28275179 0.65 PTPN11 (0.35)
SCHEMBL25911864 0.64 TDO2 (0.30)
SCHEMBL30137563 0.64 HRH4 (0.41)

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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed