SCHEMBL3264207

SCHEMBL3264207

Nc1nc2cccc(-c3ccc(C(=O)O)cc3)n2n1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.72
JAK1 P23458 7/20 0.62
EGLN2 Q96KS0 3/20 0.62
JAK2 O60674 7/20 0.54
JAK3 P52333 1/20 0.51
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2144054 0.84 NUDT1 (1.00) NUDT1JAK1EGLN2JAK2JAK3
SCHEMBL3601961 0.83 NUDT1 (0.78) NUDT1JAK1EGLN2JAK2JAK3
SCHEMBL3200526 0.81 NUDT1 (0.76) NUDT1JAK1EGLN2JAK2JAK3
SCHEMBL3264111 0.80 JAK1 (0.60) NUDT1JAK1EGLN2JAK2JAK3
SCHEMBL2250300 0.80 NUDT1 (0.73) NUDT1JAK1EGLN2JAK2JAK3
SCHEMBL2363033 0.80 NUDT1 (0.73) NUDT1JAK1EGLN2JAK2JAK3
SCHEMBL22499606 0.80 NUDT1 (0.73) NUDT1JAK1EGLN2JAK2JAK3
SCHEMBL2365482 0.79 NUDT1 (0.68) NUDT1JAK1EGLN2JAK2JAK3
SCHEMBL3262251 0.79 NUDT1 (0.71) NUDT1JAK1EGLN2JAK2JAK3
SCHEMBL2728166 0.79 JAK2 (0.65) NUDT1JAK1EGLN2JAK2JAK3

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-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed