SCHEMBL23558376

SCHEMBL23558376

COCCn1cnc2c(Nc3c(C)cc(C(F)(F)F)cc3C)nccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR3C1 P04150 2/20 0.39
▸ ABL1 P00519 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CDK1 P06493 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ NSD3 Q9BZ95 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL23558373 0.81 GRIN2B (0.38) ABL1SRCGRIN2B
SCHEMBL29824826 0.81 GAA (0.37) ABL1SRCGRIN2B
SCHEMBL23531654 0.81 GAA (0.37) ABL1SRCGRIN2B
SCHEMBL23531684 0.80 FPR2 (0.38) ABL1CDK1SRCGRIN2BPRKCA
SCHEMBL29824869 0.80 FPR2 (0.38) ABL1CDK1SRCGRIN2BPRKCA
SCHEMBL29824911 0.79 ABL1 (0.37) ABL1SRCGRIN2B
SCHEMBL23558170 0.79 ABL1 (0.37) ABL1SRCGRIN2B
SCHEMBL23557919 0.78 GRIN1 (0.36) CDK1SRCRAPGEF4PDE4APDE4B
SCHEMBL23558167 0.78 GRIN2B (0.45) GRIN2B
SCHEMBL23558166 0.78 TLR7 (0.43) GRIN2B

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-2021123294-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 — — WO disclosed
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