SCHEMBL29099997

SCHEMBL29099997

CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(C#N)cc3)ccn2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 1.00

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
SCHEMBL29100004 0.92 TGFBR1 (0.84) TGFBR1
SCHEMBL29099998 0.89 TGFBR1 (1.00) TGFBR1
SCHEMBL29100069 0.85 TGFBR1 (0.78) TGFBR1
SCHEMBL29100016 0.84 TGFBR1 (0.83) TGFBR1
SCHEMBL29100044 0.84 TGFBR1 (0.84) TGFBR1
SCHEMBL17645470 0.84 TGFBR1 (0.78) TGFBR1
SCHEMBL17645450 0.83 TGFBR1 (0.81) TGFBR1
SCHEMBL29099980 0.82 TGFBR1 (0.79) TGFBR1
SCHEMBL28594889 0.80 TGFBR1 (0.72) TGFBR1
SCHEMBL28581793 0.80 TGFBR1 (0.73) TGFBR1

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