SCHEMBL29099985

SCHEMBL29099985

FC1(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)COC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.82
TGFB1 P01137 1/20 0.70

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
SCHEMBL29099963 0.92 TGFBR1 (0.75) TGFBR1TGFB1
SCHEMBL29099959 0.90 TGFBR1 (1.00) TGFBR1TGFB1
SCHEMBL29099927 0.87 TGFBR1 (1.00) TGFBR1TGFB1
SCHEMBL28398706 0.85 TGFBR1 (0.75) TGFBR1TGFB1
SCHEMBL29099991 0.85 TGFBR1 (0.68) TGFBR1TGFB1
SCHEMBL29100026 0.85 TGFBR1 (0.79) TGFBR1TGFB1
SCHEMBL30619311 0.85 TGFBR1 (0.60) TGFBR1TGFB1
SCHEMBL29099990 0.85 TGFBR1 (1.00) TGFBR1TGFB1
SCHEMBL29099938 0.84 TGFBR1 (0.88) TGFBR1TGFB1
SCHEMBL29099939 0.84 TGFBR1 (0.75) 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