SCHEMBL14217703

SCHEMBL14217703

C=C1N/C(=N\C2CCCc3ccccc32)C(c2cc(Br)cs2)N1c1ccc2nc[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.40
▸ QPCT Q16769 14/20 0.38
▸ HSD11B1 P28845 4/20 0.34

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
SCHEMBL5062214 0.92 QPCT (0.45) CDK1QPCTHSD11B1
SCHEMBL14076541 0.92 QPCT (0.45) CDK1QPCTHSD11B1
SCHEMBL5062212 0.92 QPCT (0.45) CDK1QPCTHSD11B1
SCHEMBL5058190 0.91 QPCT (0.39) CDK1QPCTHSD11B1
SCHEMBL5058191 0.91 QPCT (0.39) CDK1QPCTHSD11B1
SCHEMBL14076651 0.91 QPCT (0.39) CDK1QPCTHSD11B1
SCHEMBL14217700 0.79 QPCT (0.44) CDK1QPCTHSD11B1
SCHEMBL16472456 0.78 QPCT (0.35) CDK1QPCTHSD11B1
SCHEMBL14076698 0.72 QPCT (0.41) CDK1QPCTHSD11B1
SCHEMBL5056701 0.72 QPCT (0.41) CDK1QPCTHSD11B1

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-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 — — WO disclosed
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