SCHEMBL4057019

SCHEMBL4057019

Cc1cnccc1-c1nc2nccnc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
MAPK13 O15264 1/20 0.38
GCGR P47871 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
WNT1 P04628 3/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
LATS1 O95835 3/20 0.36
LATS2 Q9NRM7 2/20 0.36
NUDT1 P36639 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALOX5 P09917 1/20 0.35
ABL1 P00519 2/20 0.34
MMP13 P45452 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 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
SCHEMBL10965568 0.71 METAP2 (0.41) METAP2METAP1GSK3AGSK3B
SCHEMBL4118075 0.70 ALDH1A1 (0.69) METAP2
SCHEMBL3423341 0.70 CCNC (0.50) METAP2CCNCCDK8LATS1LATS2
SCHEMBL10740734 0.69 PDE5A (0.65) METAP2METAP1ALOX5GSK3AGSK3B
SCHEMBL10742556 0.69 METAP2 (0.57) METAP2METAP1GSK3B
SCHEMBL10738710 0.69 METAP2 (0.53) METAP2METAP1
SCHEMBL10737707 0.69 PDE5A (0.68) METAP2METAP1GSK3AGSK3B
SCHEMBL10742987 0.69 METAP2 (0.53) METAP2METAP1ALOX5
SCHEMBL10674903 0.68 SLC9A1 (0.45) CCNCCDK8MAPK13GCGRMAPK12
SCHEMBL30874481 0.68 METAP2 (0.55) METAP2METAP1NUDT1

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