SCHEMBL29959992

SCHEMBL29959992

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 18/20 0.56
▸ MAPK14 Q16539 6/20 0.56
▸ ERCC1 P07992 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ VNN1 O95497 1/20 0.38

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
SCHEMBL29959975 1.00 TGFBR1 (0.56) TGFBR1MAPK14ERCC1ERCC4VNN1
SCHEMBL23409662 1.00 TGFBR1 (0.56) TGFBR1MAPK14ERCC1ERCC4VNN1
SCHEMBL23409666 0.91 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL28822071 0.88 TGFBR1 (0.69) TGFBR1MAPK14
SCHEMBL23409961 0.87 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL23409906 0.87 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL29959467 0.87 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL23409924 0.87 TGFBR1 (0.61) TGFBR1MAPK14
SCHEMBL29959785 0.87 TGFBR1 (0.61) TGFBR1MAPK14
SCHEMBL29959696 0.87 TGFBR1 (0.59) 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 1 patent. 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 disclosed
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