SCHEMBL27655538

SCHEMBL27655538

O=CC(=O)CCc1nc(NCc2ccccc2)c2cc(C(F)(F)F)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.39
▸ USP1 O94782 2/20 0.38
▸ WDR48 Q8TAF3 2/20 0.38
▸ CTNNB1 P35222 1/20 0.37
▸ TCF7L2 Q9NQB0 1/20 0.37
▸ APP P05067 4/20 0.37
▸ ICAM1 P05362 1/20 0.36
▸ SELE P16581 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ FABP4 P15090 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL27655446 0.91 KDM4E (0.39) USP1WDR48CTNNB1TCF7L2SMN1; SMN2
SCHEMBL27655447 0.87 PDE4A (0.45) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL27655658 0.85 ICAM1 (0.53) ACHEAPPICAM1SELEVCAM1
SCHEMBL27675416 0.85 ACHE (0.41) ACHEAPPICAM1SELEVCAM1
SCHEMBL27655552 0.85 ACHE (0.45) ACHEAPPSMN1; SMN2
SCHEMBL27675443 0.83 PDE5A (0.45) —
SCHEMBL27675408 0.82 MEN1 (0.39) ACHEAPPEGFRCDK2
SCHEMBL27675428 0.78 KDM4E (0.43) CTNNB1TCF7L2ICAM1SELEVCAM1
SCHEMBL27655551 0.78 KDM4E (0.38) CTNNB1TCF7L2SMN1; SMN2
SCHEMBL27655434 0.78 KDM4E (0.42) CTNNB1TCF7L2SMN1; SMN2

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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 — — CN disclosed
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