SCHEMBL6180797

SCHEMBL6180797

CCC(NC(=O)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)C1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.42
MAPK14 Q16539 1/20 0.41
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
MAPKAPK2 P49137 5/20 0.36
DYRK1B Q9Y463 1/20 0.36
IDO1 P14902 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
SCHEMBL12444984 0.78 TGFBR1 (0.57) TGFBR1MAPK14MAPKAPK2DYRK1B
SCHEMBL6180820 0.77 TGFBR1 (0.48) TGFBR1MAPK14
SCHEMBL6180702 0.75 ROCK2 (0.49) TGFBR1
SCHEMBL373292 0.75 TGFBR1 (0.66) TGFBR1MAPK14
SCHEMBL6178605 0.75 TGFBR1 (0.70) TGFBR1MAPK14MAPKAPK2
SCHEMBL29358505 0.75 TGFBR1 (0.70) TGFBR1MAPK14MAPKAPK2DYRK1B
SCHEMBL373524 0.75 TGFBR1 (0.70) TGFBR1MAPK14MAPKAPK2DYRK1B
SCHEMBL8586635 0.74 BACE1 (0.48) PRSS1
SCHEMBL6179158 0.74 TGFBR1 (0.53) TGFBR1MAPK14
SCHEMBL24312340 0.74 TGFBR1 (0.56) TGFBR1MAPK14MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP claimed
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed