SCHEMBL5138513

SCHEMBL5138513

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.49
MAPK14 Q16539 4/20 0.38
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
BRAF P15056 1/20 0.32
RIPK2 O43353 1/20 0.31
KDR P35968 1/20 0.31
ACVR1B P36896 1/20 0.31
TGFBR2 P37173 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL5138811 0.90 TGFBR1 (0.49) TGFBR1MAPK14ADORA2AADORA1BRAF
SCHEMBL5314397 0.88 TGFBR1 (0.48) TGFBR1MAPK14ADORA2AADORA1BRAF
SCHEMBL5139156 0.87 TGFBR1 (0.47) TGFBR1MAPK14ADORA2AADORA1BRAF
SCHEMBL5138562 0.85 TGFBR1 (0.46) TGFBR1MAPK14BRAF
SCHEMBL4339418 0.80 TGFBR1 (0.49) TGFBR1MAPK14RIPK2KDRACVR1B
SCHEMBL5138940 0.79 TGFBR1 (0.53) TGFBR1MAPK14ADORA2AADORA1BRAF
SCHEMBL4337360 0.77 TGFBR1 (0.81) TGFBR1MAPK14RIPK2ACVR1BTGFBR2
SCHEMBL5138494 0.76 TGFBR1 (0.46) TGFBR1MAPK14BRAF
SCHEMBL5139923 0.76 TGFBR1 (0.47) TGFBR1MAPK14
SCHEMBL4347725 0.76 TGFBR1 (0.61) 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 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