SCHEMBL20014569

SCHEMBL20014569

Cc1sc2c(c1C)c(=O)n([C@H]1C[C@@H]1C)c(=O)n2C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.37
TP53 P04637 3/20 0.32
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 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
SCHEMBL799433 0.79 ADORA2B (0.45) ADORA2BTP53ERCC5FEN1ALDH1A1
SCHEMBL19994419 0.76
SCHEMBL19994036 0.75 ADORA2A (0.52) ADORA2BPOLB
SCHEMBL19995106 0.73 ADORA2A (0.52) ADORA2B
SCHEMBL19995199 0.71 MAPT (0.39) TP53ALDH1A1LMNAMAPK1MAPT
SCHEMBL19995255 0.71 ADORA2B (0.36) ADORA2B
SCHEMBL19994338 0.67 ADORA2B (0.32) ADORA2B
SCHEMBL20014394 0.67 ADORA2B (0.32) ADORA2B
SCHEMBL19994177 0.67 ADORA2B (0.32) ADORA2B
SCHEMBL19995188 0.67 ADORA2B (0.35) ADORA2BHTTMAPK1

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-2018054846-A1 N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-29 WO disclosed