SCHEMBL5745899

SCHEMBL5745899

CCCc1ccnc(Nc2ncccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 11/20 0.40
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
MAPK10 P53779 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
GRM5 P41594 1/20 0.36
KARS1 Q15046 1/20 0.35

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
SCHEMBL5746344 0.90 MME (0.41) NR3C2JAK2TYK2MAPKAPK2
SCHEMBL5750072 0.88 KDM4E (0.42)
SCHEMBL5746333 0.88 KDM4E (0.42)
SCHEMBL5745314 0.88 KDM4E (0.42)
SCHEMBL5748820 0.86 NOS2 (0.52) NR3C2JAK2TYK2MAPKAPK2MAPK10
SCHEMBL5748107 0.82 NR3C2 (0.46) NR3C2JAK2TYK2MAPKAPK2MAPK10
SCHEMBL10238962 0.77 NR3C2 (0.44) NR3C2NOS3NOS1NOS2
SCHEMBL14367992 0.77 GRIN2D (0.44)
SCHEMBL5770617 0.76 RIOK2 (0.38) NR3C2MAPK10KARS1
SCHEMBL5750225 0.75 RIOK2 (0.38) NR3C2MAPK10GRM5KARS1

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed