SCHEMBL14217701

SCHEMBL14217701

S=C1N/C(=N\C2CCc3ccccc32)C(c2ccnc3ccccc23)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 5/20 0.33
▸ IP6K1 Q92551 1/20 0.30
▸ IP6K3 Q96PC2 1/20 0.30
▸ HSD11B1 P28845 4/20 0.30

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
SCHEMBL5053560 1.00 QPCT (0.33) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5053558 1.00 QPCT (0.33) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5053562 1.00 QPCT (0.33) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5056779 0.91 QPCT (0.41) QPCTIP6K1IP6K3HSD11B1
SCHEMBL14076354 0.91 QPCT (0.41) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5056778 0.91 QPCT (0.41) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5056780 0.91 QPCT (0.41) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5056756 0.84 QPCT (0.36) QPCTHSD11B1
SCHEMBL5056751 0.84 QPCT (0.36) QPCTHSD11B1
SCHEMBL5056759 0.84 QPCT (0.36) QPCTHSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 — — WO disclosed
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