SCHEMBL5203629

SCHEMBL5203629

OCC12CCC(c3nc(-c4ccnc(C5CC5)n4)c(-c4ccc5nccnc5c4)[nH]3)(CC1)CC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.32
MAPK14 Q16539 1/20 0.32
PIM1 P11309 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
SCHEMBL5138279 0.90 TGFBR1 (0.33) TGFBR1MAPK14PIM1
SCHEMBL5314473 0.76 TGFBR1 (0.36) TGFBR1MAPK14
SCHEMBL5138564 0.75 TGFBR1 (0.35) TGFBR1MAPK14
SCHEMBL5087298 0.75 TGFBR1 (0.53) TGFBR1MAPK14PIM1
SCHEMBL5139926 0.73 TGFBR1 (0.35) TGFBR1MAPK14
SCHEMBL5139943 0.73 TGFBR1 (0.48) TGFBR1MAPK14PIM1
SCHEMBL4906300 0.69 TGFBR1 (0.39) TGFBR1MAPK14PIM1
SCHEMBL5091521 0.69 KDR (0.40) TGFBR1MAPK14
SCHEMBL4343678 0.68 TGFBR1 (0.51) TGFBR1MAPK14
SCHEMBL4339418 0.66 TGFBR1 (0.49) 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 8 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-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