SCHEMBL5138562

SCHEMBL5138562

COC(=O)C12CCC(c3nc(-c4cccc(C)n4)c(-c4ccnc(NC5CC5)n4)[nH]3)(CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.46
MAPK14 Q16539 3/20 0.40
MAPK8 P45983 5/20 0.38
MAPK9 P45984 4/20 0.37
MAPK10 P53779 4/20 0.37
IDH1 O75874 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNB2 O95067 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
RET P07949 2/20 0.35
MAPK1 P28482 1/20 0.35
BRAF P15056 1/20 0.35
EIF2AK2 P19525 1/20 0.35
JUN P05412 1/20 0.34
CDK4 P11802 2/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 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
SCHEMBL5139923 0.92 TGFBR1 (0.47) TGFBR1MAPK14MAPK8MAPK9MAPK10
SCHEMBL5138494 0.91 TGFBR1 (0.46) TGFBR1MAPK14MAPK8MAPK9MAPK10
SCHEMBL5138148 0.91 TGFBR1 (0.56) TGFBR1MAPK14MAPK8MAPK9MAPK10
SCHEMBL5137968 0.90 TGFBR1 (0.46) TGFBR1MAPK14MAPK8MAPK9MAPK10
SCHEMBL5319326 0.87 TGFBR1 (0.42) TGFBR1MAPK14MAPK8MAPK9MAPK10
SCHEMBL5138811 0.86 TGFBR1 (0.49) TGFBR1MAPK14BRAF
SCHEMBL5138513 0.85 TGFBR1 (0.49) TGFBR1MAPK14BRAF
SCHEMBL5314397 0.84 TGFBR1 (0.48) TGFBR1MAPK14BRAFCCNA2CDK2
SCHEMBL5148794 0.84 MAPK14 (0.40) TGFBR1MAPK14MAPK8MAPK9MAPK10
SCHEMBL5202519 0.83 BRAF (0.39) TGFBR1MAPK14MAPK8MAPK9MAPK10

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