SCHEMBL18005223

SCHEMBL18005223

CC(=O)Nc1cn2cc(-c3cccnc3-c3ccc(F)c(C)n3)ccc2n1.CC(=O)Nc1cn2cc(-c3cccnc3-c3cccc(C)n3)ccc2n1.Cc1cccc(-c2ncccc2-c2ccc3nc(C(N)=O)cn3c2)n1.Cc1nc(-c2ncccc2-c2ccc3nc(C(N)=O)cn3c2)ccc1F.NC(=O)c1cn2cc(-c3cccnc3-c3cccc(C(F)(F)F)n3)ccc2n1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.71
TGFBR2 P37173 1/20 0.51
BRAF P15056 3/20 0.49
MAPK13 O15264 2/20 0.44
KDR P35968 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
LYN P07948 1/20 0.44
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
EPHB4 P54760 1/20 0.44
EPHA4 P54764 1/20 0.44

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
SCHEMBL29833468 0.84 TGFBR1 (1.00) TGFBR1TGFBR2BRAFMAPK13KDR
SCHEMBL18005137 0.84 TGFBR1 (1.00) TGFBR1TGFBR2BRAFMAPK13KDR
SCHEMBL18005346 0.83 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL29833445 0.83 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18005180 0.82 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18005294 0.82 TGFBR1 (1.00) TGFBR1TGFBR2BRAFMAPK13KDR
SCHEMBL29833474 0.82 TGFBR1 (1.00) TGFBR1TGFBR2BRAFMAPK13KDR
SCHEMBL29833412 0.82 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL29833454 0.80 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18005248 0.80 TGFBR1 (1.00) TGFBR1TGFBR2

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-3259264-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2017-12-27 EP claimed
WO-2016133838-A1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-08-25 WO claimed