SCHEMBL4060002

SCHEMBL4060002

C1=CC(c2nc3nccnc3[nH]2)=C1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL4048715 0.73 METAP1 (0.58) METAP2METAP1
SCHEMBL3949357 0.70 DAO (0.37)
SCHEMBL4046146 0.69 METAP2 (0.64) METAP2METAP1
SCHEMBL3951853 0.68 ROCK2 (0.35)
SCHEMBL3953388 0.67 SYK (0.32)
SCHEMBL3950079 0.67 CCNB2 (0.31)
SCHEMBL10735823 0.67 METAP2 (0.51) METAP2METAP1
SCHEMBL10737047 0.67 METAP2 (0.51) METAP2METAP1EGLN1
SCHEMBL10742556 0.65 METAP2 (0.57) METAP2METAP1
SCHEMBL10740734 0.65 PDE5A (0.65) METAP2METAP1

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
WO-2009029592-A1 HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
WO-2008103615-A1 ISOQUINOLINES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-08-28 WO disclosed