SCHEMBL7942904

SCHEMBL7942904

Cc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.66
MAPK14 Q16539 10/20 0.64
KDR P35968 2/20 0.64
PRKD1 Q15139 2/20 0.64
PDGFRA P16234 1/20 0.64
FLT1 P17948 1/20 0.64
FLT4 P35916 1/20 0.64
RIPK2 O43353 1/20 0.51
ACVR1B P36896 1/20 0.51
TGFBR2 P37173 1/20 0.45
MTOR P42345 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1646514 0.91 TGFBR1 (0.64) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4876173 0.91 TGFBR1 (0.78) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4877766 0.90 TGFBR1 (0.66) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL13988030 0.90 TGFBR1 (0.63) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL1647305 0.89 TGFBR1 (0.62) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL1646966 0.89 TGFBR1 (0.62) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4872253 0.89 TGFBR1 (0.63) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL1647266 0.87 TGFBR1 (0.59) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4868538 0.87 TGFBR1 (0.83) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4871859 0.86 TGFBR1 (0.58) TGFBR1MAPK14KDRPRKD1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150547-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK4 AND/OR ALK4 INHIBITORS SK CHEMICALS CO., LTD (KR) 2009-12-17 WO disclosed