SCHEMBL4048086

SCHEMBL4048086

CC(C)C(C)c1nc2nccnc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
EGLN1 Q9GZT9 1/20 0.32
ENPP1 P22413 1/20 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
SCHEMBL4043723 0.84 METAP2 (0.41) METAP2METAP1EGLN1
SCHEMBL4048043 0.78 METAP2 (0.37) METAP2METAP1EGLN1
SCHEMBL4054698 0.76 ADORA3 (0.40) METAP2METAP1EGLN1
SCHEMBL4046285 0.75 GPR84 (0.35) METAP2METAP1
SCHEMBL23181665 0.73 ALDH1A1 (0.35)
SCHEMBL13905132 0.73 METAP2 (0.33) METAP2METAP1
SCHEMBL4047234 0.73 GPR84 (0.43) METAP2METAP1
SCHEMBL4047016 0.73 METAP2 (0.33) METAP2METAP1
SCHEMBL813686 0.69 METAP2 (0.44) METAP2METAP1EGLN1ENPP1
SCHEMBL4053441 0.68 ADORA3 (0.40) METAP2METAP1EGLN1

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-2009029592-A1 HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed