SCHEMBL4052403

SCHEMBL4052403

CCC(CC)Cc1nc2nccnc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
EGLN1 Q9GZT9 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
SCHEMBL4044137 0.85 PDE9A (0.38) METAP2METAP1
SCHEMBL4053441 0.82 ADORA3 (0.40) METAP2METAP1EGLN1
SCHEMBL4046994 0.80 ADORA1 (0.42) METAP2METAP1EGLN1
SCHEMBL4052252 0.77 KDM4C (0.41) METAP2METAP1EGLN1
SCHEMBL4047518 0.76 METAP2 (0.33) METAP2METAP1
SCHEMBL4047107 0.76 PDE9A (0.35) METAP2METAP1
SCHEMBL13905292 0.76 PDE9A (0.35) METAP2METAP1
SCHEMBL4046849 0.75 METAP2 (0.35) METAP2METAP1
SCHEMBL4051241 0.74 PI4KA (0.45)
SCHEMBL4046923 0.72 PI4KA (0.51)

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