SCHEMBL3801580

SCHEMBL3801580

Cc1sc(OC(N)=O)cc1-c1cnc(Nc2ccc(N3CCN(C(C)C)CC3)nc2)c2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.39
HRH3 Q9Y5N1 13/20 0.37
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
CDK11A Q9UQ88 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL3802995 0.91 MAPKAPK5 (0.48) MAPKAPK5CDK4CCND1
SCHEMBL2220499 0.89 MAPKAPK5 (0.40) MAPKAPK5HRH3CCNT1CDK4CCND1
SCHEMBL3804104 0.87 MAPKAPK5 (0.41) MAPKAPK5HRH3
SCHEMBL2220062 0.80 MAPKAPK5 (0.49) MAPKAPK5CDK4CCND1
SCHEMBL1476477 0.80 MAPKAPK5 (0.49) MAPKAPK5HRH3
SCHEMBL1476043 0.80 MAPKAPK5 (0.49) MAPKAPK5HRH3
SCHEMBL3795246 0.78 MAPKAPK5 (0.51) MAPKAPK5CDK4CCND1
SCHEMBL1476474 0.77 MAPKAPK5 (0.61) MAPKAPK5HRH3
SCHEMBL3798405 0.76 MAPKAPK5 (0.50) MAPKAPK5JAK2JAK1
SCHEMBL3803732 0.76 MAPKAPK5 (0.38) MAPKAPK5JAK2JAK1

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
EP-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed