SCHEMBL27675416

SCHEMBL27675416

O=CC(=O)CCc1nc(NCc2ccccc2)c2cc(Cl)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.41
▸ APP P05067 4/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ EGFR P00533 2/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ SELE P16581 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ PLAU P00749 2/20 0.36
▸ MAT2A P31153 1/20 0.36

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
SCHEMBL27655551 0.90 KDM4E (0.38) PLAU
SCHEMBL27655451 0.86 PDE4A (0.45) PDE5AEGFRPDE4APDE4BPDE4C
SCHEMBL27655658 0.86 ICAM1 (0.53) ACHEAPPPDE4APDE4BPDE4C
SCHEMBL27655538 0.85 ACHE (0.39) ACHEAPPEGFRPDE4APDE4B
SCHEMBL27675408 0.84 MEN1 (0.39) ACHEAPPPDE5AEGFR
SCHEMBL27675572 0.84 ACHE (0.47) ACHEAPPPDE5A
SCHEMBL27675511 0.83 PDE5A (0.41) ACHEPDE5A
SCHEMBL27655553 0.80 KDM4E (0.40) —
SCHEMBL27655434 0.78 KDM4E (0.42) —
SCHEMBL27675509 0.78 GAA (0.48) —

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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