SCHEMBL29648722

SCHEMBL29648722

CC(C)n1cc(-c2nc3c4cccc(S(C)(=O)=O)c4nc(N[C@@H]4CCCCNC4=O)n3n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.35
ADORA1 P30542 5/20 0.35
ALOX5AP P20292 2/20 0.32
FEN1 P39748 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ADORA3 P0DMS8 4/20 0.31
ADORA2B P29275 3/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
MKNK1 Q9BUB5 2/20 0.30
MKNK2 Q9HBH9 2/20 0.30
KDM5B Q9UGL1 1/20 0.30
CCR2 P41597 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
SCHEMBL22979704 1.00 ADORA2A (0.35) ADORA2AADORA1ALOX5APFEN1LRRK2
SCHEMBL22979719 0.92 ADORA2A (0.36) ADORA2AADORA1ALOX5APFEN1ADORA3
SCHEMBL29646119 0.92 ADORA2A (0.36) ADORA2AADORA1ALOX5APFEN1ADORA3
SCHEMBL29645784 0.90 AURKB (0.32) JAK2JAK1TYK2JAK3BRD4
SCHEMBL22979234 0.90 AURKB (0.32) JAK2JAK1TYK2JAK3BRD4
SCHEMBL22979396 0.89 ADORA2A (0.34) ADORA2AADORA1LRRK2ADORA3ADORA2B
SCHEMBL22988431 0.89 ADORA2A (0.34) ADORA2AADORA1ALOX5APFEN1LRRK2
SCHEMBL22979811 0.89 ADORA2A (0.34) ADORA2AADORA1LRRK2ADORA3ADORA2B
SCHEMBL22988474 0.89 ADORA2A (0.34) ADORA2AADORA1LRRK2ADORA3ADORA2B
SCHEMBL22979193 0.87 ADORA2A (0.34) ADORA2AADORA1LRRK2ADORA3ADORA2B

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-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed