SCHEMBL17301895

SCHEMBL17301895

COc1cc(CCCN(Cc2cncn2C)c2ccc(C#N)nc2)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 12/20 0.41
▸ FNTB P49356 12/20 0.41
▸ PGGT1B P53609 9/20 0.41

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
SCHEMBL17301909 0.90 FNTA (0.38) FNTAFNTBPGGT1B
SCHEMBL17295329 0.89 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL17295243 0.86 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL17302060 0.86 FNTA (0.37) FNTAFNTBPGGT1B
SCHEMBL17301896 0.85 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL17302059 0.84 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL17295284 0.83 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL17301918 0.82 FNTA (0.39) FNTAFNTBPGGT1B
SCHEMBL17301916 0.76 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL17302044 0.76 CYP19A1 (0.38) FNTAFNTBPGGT1B

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-2015181272-A1 RAB GERANYLGERANYL TRANSFERASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2015-12-03 — — WO disclosed
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