SCHEMBL1383558

SCHEMBL1383558

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(OCCN(C)C)c2)c1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(OCCN(CCO)CCO)c2)c1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.45
MAPK11 Q15759 4/20 0.45
GAK O14976 1/20 0.41
LCK P06239 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDGFRB P09619 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
EPHA5 P54756 1/20 0.41
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TEK Q02763 1/20 0.38
BTK Q06187 1/20 0.37

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
SCHEMBL1417014 0.97 MAPK14 (0.47) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1416992 0.95 MAPK14 (0.49) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1417099 0.87 MAPK14 (0.50) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1417219 0.85 HPGD (0.54) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1417180 0.84 MAPK14 (0.56) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1385955 0.84 MAPK14 (0.51) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1382836 0.84 MAPK14 (0.48) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1386374 0.83 MAPK14 (0.60) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1417233 0.83 MAPK14 (0.50) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1386397 0.83 MAPK14 (0.54) MAPK14MAPK11GAKLCKCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838121-B2 2011-12-14 JP claimed
JP-2007521278-A 2007-08-02 JP claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO claimed