SCHEMBL5138940

SCHEMBL5138940

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.53
MAPK14 Q16539 3/20 0.39
MAPK13 O15264 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK12 P53778 2/20 0.39
RAF1 P04049 1/20 0.39
MAPK11 Q15759 1/20 0.39
CDC7 O00311 7/20 0.38
JAK2 O60674 4/20 0.38
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
GSK3B P49841 2/20 0.38
TAOK1 Q7L7X3 2/20 0.38
PLK4 O00444 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL5139923 0.84 TGFBR1 (0.47) TGFBR1MAPK14MAPK9CDK1CDK2
SCHEMBL5138811 0.81 TGFBR1 (0.49) TGFBR1MAPK14BRAFKDRADORA2A
SCHEMBL4343678 0.79 TGFBR1 (0.51) TGFBR1MAPK14KDRRIPK2ACVR1B
SCHEMBL5138513 0.79 TGFBR1 (0.49) TGFBR1MAPK14BRAFKDRADORA2A
SCHEMBL5314397 0.78 TGFBR1 (0.48) TGFBR1MAPK14CDK2CSNK1DJAK3
SCHEMBL5138148 0.78 TGFBR1 (0.56) TGFBR1MAPK14MAPK9CDK1CDK2
SCHEMBL5139156 0.77 TGFBR1 (0.47) TGFBR1MAPK14BRAFKDRADORA2A
SCHEMBL375627 0.76 TGFBR1 (0.73) TGFBR1MAPK14RIPK2ACVR1B
SCHEMBL4337168 0.76 TGFBR1 (0.85) TGFBR1MAPK14PRKD3MAPK1CSNK1A1
SCHEMBL5137968 0.75 TGFBR1 (0.46) TGFBR1MAPK14MAPK9CDK1CDK2

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 9 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
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
EP-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
WO-2006026306-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC. (US) 2006-03-09 WO disclosed