SCHEMBL29100018

SCHEMBL29100018

CC(C)(O)c1cc(Nc2cc(Oc3cn(CCF)nc3C3CCOCC3)ccn2)ccn1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.83
TGFB1 P01137 1/20 0.65

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
SCHEMBL22851491 0.91 TGFBR1 (1.00) TGFBR1TGFB1
SCHEMBL17645436 0.90 TGFBR1 (0.82) TGFBR1TGFB1
SCHEMBL28398426 0.86 TGFBR1 (0.76) TGFBR1TGFB1
SCHEMBL17645172 0.86 TGFBR1 (0.77) TGFBR1TGFB1
Ly-3200882 SCHEMBL17645407 0.85 TGFBR1 (1.00) TGFBR1TGFB1
Ly-3200882 SCHEMBL30290837 0.85 TGFBR1 (1.00) TGFBR1TGFB1
SCHEMBL17645371 0.85 TGFBR1 (0.78) TGFBR1TGFB1
SCHEMBL30619317 0.85 TGFBR1 (0.60) TGFBR1TGFB1
SCHEMBL22903519 0.84 TGFBR1 (1.00) TGFBR1TGFB1
SCHEMBL22903520 0.84 TGFBR1 (1.00) TGFBR1TGFB1

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
CN-111196804-B TGF-beta R1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-11-07 CN disclosed