SCHEMBL29979707

SCHEMBL29979707

Nc1ccnc(C2CCOC2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
PIM1 P11309 1/20 0.35
MAP3K12 Q12852 5/20 0.34
MAPK1 P28482 3/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
CHEK1 O14757 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL23365116 1.00 PIK3CD (0.36) PIK3CDPIK3CAASIC3PIM1MAP3K12
SCHEMBL5559958 0.90 PIK3CD (0.43) PIK3CDPIK3CAASIC3MAP3K12MAPK1
SCHEMBL30856759 0.86 ASIC3 (0.40) ASIC3MAPK1ADORA2AADORA1
SCHEMBL22545239 0.86 ASIC3 (0.40) ASIC3MAPK1ADORA2AADORA1
SCHEMBL20676296 0.80 CCR1 (0.42) PIK3CDPIK3CAPIM1MAP3K12ACVR2A
SCHEMBL23365111 0.80 PIK3CD (0.36) PIK3CDPIK3CAPIM1MAP3K12PRMT5
SCHEMBL29979625 0.80 PIK3CD (0.36) PIK3CDPIK3CAPIM1MAP3K12PRMT5
SCHEMBL12068738 0.80 ADORA2A (0.45) ASIC3PIM1MAPK1ADORA2AADORA1
SCHEMBL14375570 0.77 MAP3K12 (0.38) PIK3CDPIK3CAPIM1MAP3K12ACVR2A
SCHEMBL4183278 0.77 CHRNA7 (0.42) ASIC3ADORA2AADORA1

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
EP-4058016-A1 THIOPHENE COMPOUNDS WITH CYCLIC AMIDES, AND USES THEREOF Capulus Therapeutics, LLC (US) 2022-09-21 EP disclosed