SCHEMBL3262068

SCHEMBL3262068

Nc1nc2cccc(N3CC(N)C3)n2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.46
JAK1 P23458 3/20 0.40
EGLN2 Q96KS0 2/20 0.40
JAK3 P52333 2/20 0.39
HRH3 Q9Y5N1 3/20 0.36
JAK2 O60674 1/20 0.35
PTK2 Q05397 1/20 0.35
HRH4 Q9H3N8 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PTPN11 Q06124 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
SCHEMBL3261461 0.85 NUDT1 (0.44) NUDT1JAK1EGLN2JAK3HRH3
SCHEMBL2250437 0.81 NUDT1 (0.57) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL2254109 0.79 NUDT1 (0.60) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL2253273 0.79 NUDT1 (0.60) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL2252271 0.78 NUDT1 (0.46) NUDT1JAK1EGLN2KDM4EMAPK1
SCHEMBL3262865 0.77 NUDT1 (0.45) NUDT1JAK1EGLN2JAK3HRH3
SCHEMBL25678808 0.76 ADORA2A (0.46) NUDT1JAK1JAK3KDM4EL3MBTL1
SCHEMBL3216262 0.75 JAK1 (0.44) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL25258926 0.72 NUDT1 (0.41) NUDT1JAK1JAK3
SCHEMBL25258924 0.72 NUDT1 (0.41) NUDT1JAK1JAK3

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-2010010187-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed