SCHEMBL7014104

SCHEMBL7014104

CC(C)n1cnc2[nH]ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.40
AXL P30530 2/20 0.40
JAK2 O60674 5/20 0.37
JAK1 P23458 5/20 0.37
TYK2 P29597 5/20 0.37
JAK3 P52333 5/20 0.37
USP5 P45974 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
ADORA2A P29274 2/20 0.36
CIT O14578 1/20 0.36

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
SCHEMBL23505912 0.77 PRKCI (0.43) PRKCIAXLJAK2JAK1TYK2
SCHEMBL12411008 0.71 MEN1 (0.45) ADORA2A
SCHEMBL7016895 0.71 SMN1; SMN2 (0.47) ADORA2A
SCHEMBL2614340 0.69 USP5 (0.69) USP5
SCHEMBL14894316 0.68 JAK2 (0.46) PRKCIAXLJAK2JAK1TYK2
SCHEMBL21142493 0.68 PDE4A (0.49) USP5ADORA2A
SCHEMBL12825983 0.68 CYP1A2 (0.47) USP5
SCHEMBL13258404 0.67 ESR2 (0.56)
SCHEMBL15723760 0.67 MEN1 (0.41) JAK2JAK1ADORA2A
SCHEMBL20224878 0.67 MEN1 (0.51) JAK2ADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026832-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 Almac Discovery Limited (GB) 2022-07-13 EP disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed