SCHEMBL30117488

SCHEMBL30117488

Cc1cc(-c2ncccc2-c2ccc3nncn3c2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.44
MAPK14 Q16539 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
TGFBR2 P37173 1/20 0.40
DNMT1 P26358 1/20 0.40
SCN5A Q14524 1/20 0.38
KMO O15229 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GRIN2B Q13224 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36

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
SCHEMBL15639501 1.00 TGFBR1 (0.44) TGFBR1MAPK14ADORA2AADORA2BADORA1
SCHEMBL15638144 0.83 TGFBR1 (0.59) TGFBR1TGFBR2
SCHEMBL15638030 0.83 TGFBR1 (0.53) TGFBR1MAPK14TGFBR2
SCHEMBL15639173 0.83 TGFBR1 (0.48) TGFBR1MAPK14ADORA2AADORA2BADORA1
SCHEMBL15638552 0.82 TGFBR1 (0.52) TGFBR1MAPK14TGFBR2KMO
SCHEMBL19654934 0.82 MAPK14 (0.40) TGFBR1MAPK14ADORA2AADORA2BADORA1
SCHEMBL15639931 0.79 TGFBR1 (0.40) TGFBR1TGFBR2KMOGRIN2B
SCHEMBL15639320 0.79 TGFBR1 (0.53) TGFBR1TGFBR2
SCHEMBL15639413 0.79 TGFBR1 (0.47) TGFBR1MAPK14ADORA2AADORA1TGFBR2
SCHEMBL30117480 0.79 TGFBR1 (0.47) TGFBR1MAPK14ADORA2AADORA1TGFBR2

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