SCHEMBL2598326

SCHEMBL2598326

CC(C)(O)CCn1ncc2nccc(I)c21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.33
TGFBR1 P36897 1/20 0.33
EGFR P00533 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
SCHEMBL2598467 0.82 ADORA3 (0.38) TGFBR1
SCHEMBL2598448 0.79 TGFBR1 (0.40) TGFBR1
SCHEMBL2598377 0.78 MPO (0.35) TGFBR1
SCHEMBL2598357 0.76 MAPK1 (0.33) TGFBR1
SCHEMBL2598332 0.73 TGFBR1 (0.37) TGFBR1
SCHEMBL2596818 0.70 IRAK4 (0.38) TGFBR1
SCHEMBL2598351 0.69 NPBWR1 (0.49)
SCHEMBL2598302 0.69 DGAT1 (0.32)
SCHEMBL2598454 0.67 MET (0.43) TGFBR1
SCHEMBL2598306 0.66 PDE1B (0.34)

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-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed