SCHEMBL28398706

SCHEMBL28398706

N#CC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)CC1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.75
TGFB1 P01137 1/20 0.68

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
SCHEMBL29099985 0.85 TGFBR1 (0.82) TGFBR1TGFB1
SCHEMBL29099959 0.85 TGFBR1 (1.00) TGFBR1TGFB1
SCHEMBL29099939 0.84 TGFBR1 (0.75) TGFBR1TGFB1
SCHEMBL29100011 0.84 TGFBR1 (0.76) TGFBR1TGFB1
SCHEMBL29099927 0.84 TGFBR1 (1.00) TGFBR1TGFB1
SCHEMBL29099963 0.84 TGFBR1 (0.75) TGFBR1TGFB1
SCHEMBL17645403 0.83 TGFBR1 (0.73) TGFBR1TGFB1
SCHEMBL30619369 0.83 TGFBR1 (0.75) TGFBR1TGFB1
SCHEMBL30619314 0.83 TGFBR1 (0.76) TGFBR1TGFB1
SCHEMBL17645440 0.83 TGFBR1 (0.72) 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