SCHEMBL25826138

SCHEMBL25826138

CCCCCCC(C)n1cnc2cncnc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.43
PDE2A O00408 3/20 0.43
CYP3A4 P08684 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.42
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL25849033 0.87 FDPS (0.41) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL21311452 0.87 FDPS (0.41) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL30544611 0.84 ADA (0.62) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL1742884 0.84 ADA (0.62) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL17017279 0.84 ADA (0.62) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL22571187 0.82 ADORA2A (0.53) CYP3A4KDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL29782897 0.82 ADA (0.40) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL21311457 0.78 ADA (0.39) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL7155208 0.78 FDPS (0.39) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL29782912 0.76 FDPS (0.41) ADAPDE2ACYP3A4PDE4APDE4B

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
US-20230220384-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-07-13 US disclosed