SCHEMBL30117458

SCHEMBL30117458

Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN4CCOCC4)n3c2)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.64
PIK3CD O00329 2/20 0.52
PIK3R1 P27986 2/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CB P42338 2/20 0.52
PIK3CG P48736 2/20 0.52
TGFBR2 P37173 2/20 0.47
MET P08581 1/20 0.44
NTRK1 P04629 1/20 0.43
KIT P10721 1/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL15638831 1.00 TGFBR1 (0.64) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL30117385 0.95 TGFBR1 (0.58) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15638331 0.95 TGFBR1 (0.58) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15638195 0.93 TGFBR1 (0.54) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL30117415 0.93 TGFBR1 (0.54) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15638180 0.92 TGFBR1 (0.53) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL30117510 0.88 TGFBR1 (0.51) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15638561 0.88 TGFBR1 (0.51) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15639482 0.88 TGFBR1 (0.51) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15638219 0.87 TGFBR1 (0.49) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB

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
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP claimed