SCHEMBL24640706

SCHEMBL24640706

CC(C)N1CCN2c3ncc(C#N)cc3OC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
TIPARP Q7Z3E1 8/20 0.33
AXL P30530 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
GRM5 P41594 1/20 0.33
HRH3 Q9Y5N1 4/20 0.32
HRH4 Q9H3N8 1/20 0.32
SGPL1 O95470 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL24640710 1.00 DRD2 (0.34) DRD2DRD3TIPARPAXLIRAK4
SCHEMBL24639390 0.89 SOS1 (0.37) DRD2DRD3TIPARPIRAK4GRM5
SCHEMBL24639244 0.82 TIPARP (0.34) TIPARPAXL
SCHEMBL24639265 0.82 TIPARP (0.34) TIPARPAXL
SCHEMBL24640209 0.82 TIPARP (0.34) TIPARPAXL
SCHEMBL26958217 0.82 TIPARP (0.34) DRD2DRD3TIPARPIRAK4HRH3
SCHEMBL24640612 0.81 AXL (0.36) TIPARPAXLHRH3HRH4
SCHEMBL24639247 0.81 TIPARP (0.35) TIPARPAXLGRM5HRH3
SCHEMBL24639266 0.81 TIPARP (0.35) TIPARPAXLGRM5HRH3
SCHEMBL24639256 0.80 AXL (0.36) TIPARPAXL

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-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed