SCHEMBL31095986

SCHEMBL31095986

O=Cc1ccc(-c2cccc(-c3cccc(-c4ccn5c(-c6ccc(C=O)cc6)nnc5c4)c3Cl)c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.42
ABL1 P00519 1/20 0.42
PDGFRA P16234 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK7 P50613 1/20 0.42
BTK Q06187 1/20 0.42
MAP4K2 Q12851 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK13 O15264 4/20 0.38
MAPK14 Q16539 1/20 0.34
GRM2 Q14416 1/20 0.33
TNKS O95271 1/20 0.33
ALDH1A1 P00352 3/20 0.32
DRD1 P21728 3/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL31096158 0.88 GRM2 (0.33) DYRK1BABL1PDGFRACSNK1A1CDK7
SCHEMBL31095965 0.86 MAPK13 (0.37) DYRK1BABL1PDGFRACSNK1A1CDK7
SCHEMBL31096130 0.84 ABL1 (0.41) DYRK1BABL1PDGFRACSNK1A1CDK7
SCHEMBL31095944 0.82 KDM4E (0.49) DYRK1BABL1PDGFRACSNK1A1CDK7
SCHEMBL31095927 0.79 CD274 (0.48)
SCHEMBL31096010 0.76 PDCD1 (0.33) MAPK13MAPK14GRM2DRD1DRD2
SCHEMBL23725576 0.74 FLT3 (0.33) DYRK1BKDM4EALDH1A1GAADYRK3
SCHEMBL31095921 0.72 CD274 (0.45)
SCHEMBL23725819 0.72 ALDH1A1 (0.36) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL31096207 0.72 CD274 (0.38)

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