SCHEMBL30693042

SCHEMBL30693042

O=C(O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.57
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
MAPK8 P45983 9/20 0.48
MAPK9 P45984 5/20 0.48
MAPK10 P53779 2/20 0.46
CSNK2A1 P68400 1/20 0.45
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
MAPK1 P28482 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL185452 0.93 HCAR3 (0.64) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL16047037 0.91 HCAR3 (0.62) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL29761508 0.85 MAPK8 (0.55) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL13015030 0.82 HDAC1 (0.53) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL16048668 0.82 HDAC3 (0.73) HCAR3HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL3774411 0.81 HDAC1 (0.52) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL17832701 0.80 HDAC1 (0.55) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL558517 0.78 CSNK2A1 (0.58) HCAR3MAPK8MAPK9MAPK10CSNK2A1
SCHEMBL558518 0.78 CSNK2A1 (0.58) HCAR3MAPK8MAPK9MAPK10CSNK2A1
SCHEMBL14667236 0.77 HDAC1 (0.57) HCAR3HDAC3HDAC1HDAC2HDAC6

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-2023235925-A1 COMPOUNDS WITH MERTK ACTIVITY MONASH UNIVERSITY (AU) 2023-12-14 WO disclosed