SCHEMBL5202519

SCHEMBL5202519

Cc1cccc(-c2nc(C34CCC(NS(C)(=O)=O)(CC3)CC4)[nH]c2-c2ccnc(NC3CC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.39
TGFBR1 P36897 1/20 0.39
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
CCNB2 O95067 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MAPK8 P45983 4/20 0.38
MAPK9 P45984 3/20 0.38
MAPK10 P53779 2/20 0.38
MAPK14 Q16539 3/20 0.37
IDH1 O75874 1/20 0.36
CDK4 P11802 2/20 0.36
CCNA2 P20248 2/20 0.36
CCND1 P24385 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
IKBKB O14920 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
SCHEMBL5319326 0.87 TGFBR1 (0.42) TGFBR1CDK1CCNB1CCNB2CCNB3
SCHEMBL5139923 0.85 TGFBR1 (0.47) TGFBR1CDK1CCNB1CCNB2CCNB3
SCHEMBL5138148 0.84 TGFBR1 (0.56) TGFBR1CDK1CCNB1CCNB2CCNB3
SCHEMBL5148794 0.84 MAPK14 (0.40) BRAFTGFBR1CDK1CCNB1CCNB2
SCHEMBL5137968 0.83 TGFBR1 (0.46) TGFBR1CDK1CCNB1CCNB2CCNB3
SCHEMBL5138562 0.83 TGFBR1 (0.46) BRAFTGFBR1CDK1CCNB1CCNB2
SCHEMBL5138494 0.81 TGFBR1 (0.46) BRAFTGFBR1CDK1CCNB1CCNB2
SCHEMBL5199691 0.80 MAPK14 (0.40) BRAFTGFBR1MAPK8MAPK9MAPK10
SCHEMBL4335540 0.77 TGFBR1 (0.54) TGFBR1MAPK14
SCHEMBL4351447 0.73 TGFBR1 (0.70) TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
EP-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
WO-2006026306-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC. (US) 2006-03-09 WO claimed
EP-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006026306-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC. (US) 2006-03-09 WO disclosed