SCHEMBL25790652

SCHEMBL25790652

Cc1cnc(C(C)C)c(C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
PDK4 Q16654 2/20 0.43
SSTR4 P31391 2/20 0.33
OPRK1 P41145 2/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PDK1 Q15118 1/20 0.31
CNR2 P34972 3/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
LYN P07948 1/20 0.30
SRC P12931 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
SCHEMBL20047458 0.83 PDK2 (0.32) PDK2PDK4CNR2
SCHEMBL25928008 0.80 PAK4 (0.35) PDK2PDK4CNR2
SCHEMBL23502433 0.77 CNR2 (0.33) CNR2
SCHEMBL12240432 0.76 PDK2 (0.44) PDK2PDK4SSTR4CCR1CCR5
SCHEMBL15481077 0.76 EGLN2 (0.38) DRD2
SCHEMBL31110275 0.73 NOS3 (0.52) PDK2PDK4SSTR4CCR1CCR5
SCHEMBL18072068 0.73 NOS3 (0.52) PDK2PDK4SSTR4CCR1CCR5
SCHEMBL25896493 0.72 OPRK1 (0.36) OPRK1CCR1CCR5CCR8NOS3
SCHEMBL25790850 0.72 OPRK1 (0.31) OPRK1
SCHEMBL19083788 0.71 SSTR4 (0.45) PDK2PDK4SSTR4OPRK1CNR2

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-2023125928-A1 MENIN INHIBITOR AND USE THEREOF 成都先导药物开发股份有限公司 2023-07-06 WO disclosed