SCHEMBL20733588

SCHEMBL20733588

CCC(C)n1ccc2c(Cl)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
ADORA1 P30542 2/20 0.44
SLC22A12 Q96S37 1/20 0.39
ADORA3 P0DMS8 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
ENPP1 P22413 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR4 P22455 1/20 0.34
RET P07949 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL12985435 0.86 SLC22A12 (0.41) SLC22A12FGFR1FGFR4PDE4APDE4B
SCHEMBL12985353 0.86 SLC22A12 (0.41) SLC22A12FGFR1FGFR4PDE4APDE4B
SCHEMBL16978036 0.86 SLC22A12 (0.41) SLC22A12FGFR1FGFR4PDE4APDE4B
SCHEMBL16236565 0.83 NPC1 (0.39) SLC22A12LMNAENPP1FGFR1FGFR4
SCHEMBL4086353 0.83 SLC22A12 (0.42) ADORA2AADORA2BADORA1SLC22A12FGFR1
SCHEMBL16236766 0.82 SLC22A12 (0.36) SLC22A12FGFR1FGFR4PDE4APDE4B
SCHEMBL16769961 0.81 SLC22A12 (0.41) ADORA2AADORA2BADORA1SLC22A12HTT
SCHEMBL21943146 0.81 ADORA2A (0.59) ADORA2AADORA2BADORA1ADORA3RET
SCHEMBL22399203 0.80 SLC22A12 (0.43) ADORA2AADORA2BADORA1SLC22A12HTT
SCHEMBL100735 0.78 SLC22A12 (0.37) SLC22A12SELEVCAM1ENPP1FGFR1

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-2019032859-A1 SELECTIVE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5) PRELUDE THERAPEUTICS, INCORPORATED (US) 2019-02-14 WO disclosed