SCHEMBL31096010

SCHEMBL31096010

Cc1c(-c2ccc(C=O)cc2)cccc1-c1cccc(-c2ccn3c(C=O)nnc3c2)c1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
MAPK13 O15264 11/20 0.32
DRD1 P21728 3/20 0.32
MAPK14 Q16539 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
PRKDC P78527 1/20 0.31
GRM2 Q14416 2/20 0.31

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
SCHEMBL31095973 0.94 MAPK13 (0.35) MAPK13MAPK14GRM2
SCHEMBL31095965 0.89 MAPK13 (0.37) PDCD1CD274MAPK13DRD1MAPK14
SCHEMBL31096158 0.85 GRM2 (0.33) MAPK13DRD1DRD2DRD4DRD5
SCHEMBL31096130 0.84 ABL1 (0.41) PDCD1CD274MAPK13DRD1MAPK14
SCHEMBL31145842 0.81 CD274 (0.45) PDCD1CD274
SCHEMBL31096067 0.78 CCNB2 (0.38) PDCD1CD274MAPK13MAPK14
SCHEMBL31095986 0.76 DYRK1B (0.42) MAPK13DRD1MAPK14DRD2DRD4
SCHEMBL31096119 0.75 FLT3 (0.59)
SCHEMBL31095831 0.72 PDCD1 (0.34) PDCD1CD274DRD1
SCHEMBL23725576 0.72 FLT3 (0.33) CD274

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-4434987-A1 NOVEL PD-L1 INHIBITORS Affirma Biotech S. L. (ES) 2024-09-25 EP disclosed