SCHEMBL28397649

SCHEMBL28397649

O=C1CC(n2cc(Oc3ccnc(Cl)c3)c(C3CCOCC3)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.54
TGFB1 P01137 1/20 0.52

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
SCHEMBL17645404 0.91 TGFBR1 (0.64) TGFBR1TGFB1
SCHEMBL22186847 0.89 TGFBR1 (0.60) TGFBR1TGFB1
SCHEMBL28888969 0.85 TGFBR1 (0.57) TGFBR1TGFB1
SCHEMBL29100047 0.85 TGFBR1 (0.49) TGFBR1TGFB1
SCHEMBL17645167 0.85 TGFBR1 (0.57) TGFBR1TGFB1
SCHEMBL17645445 0.83 TGFBR1 (0.53) TGFBR1TGFB1
SCHEMBL24263214 0.81 TGFBR1 (0.52) TGFBR1TGFB1
SCHEMBL17645399 0.81 TGFBR1 (0.52) TGFBR1TGFB1
SCHEMBL22186882 0.80 TGFBR1 (0.51) TGFBR1TGFB1
SCHEMBL17645364 0.78 TGFBR1 (0.47) 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 2 patents. 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
CN-111196804-A TGF- β R1 inhibitor and application thereof 南京圣和药业股份有限公司 2020-05-26 CN disclosed