SCHEMBL29959467

SCHEMBL29959467

Cc1cccc(CNC(=O)Cn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 12/20 0.59
▸ MAPK14 Q16539 5/20 0.59
▸ ASAH1 Q13510 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ BRAF P15056 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL23409961 1.00 TGFBR1 (0.59) TGFBR1MAPK14ASAH1POLBTHRB
SCHEMBL23409664 0.90 TGFBR1 (0.59) TGFBR1MAPK14THRBTP53AURKA
SCHEMBL29959820 0.90 TGFBR1 (0.59) TGFBR1MAPK14THRBTP53AURKA
SCHEMBL28822071 0.90 TGFBR1 (0.69) TGFBR1MAPK14BRAFAURKAAURKB
SCHEMBL23409906 0.90 TGFBR1 (0.59) TGFBR1MAPK14LMNA
SCHEMBL23409924 0.90 TGFBR1 (0.61) TGFBR1MAPK14THRB
SCHEMBL29959696 0.90 TGFBR1 (0.59) TGFBR1MAPK14LMNA
SCHEMBL29959785 0.90 TGFBR1 (0.61) TGFBR1MAPK14THRB
SCHEMBL28822096 0.88 TGFBR1 (0.56) TGFBR1MAPK14THRBAURKAAURKB
SCHEMBL23409662 0.87 TGFBR1 (0.56) TGFBR1MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065572-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Origo Biopharma, S.L. (ES) 2022-10-05 — — EP claimed
CN-114787145-B Benzamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 阿戈麦布西班牙股份有限公司 2024-03-26 — — CN disclosed
EP-4065572-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Origo Biopharma, S.L. (ES) 2022-10-05 — — EP disclosed
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