SCHEMBL29959955

SCHEMBL29959955

CCCCOC(=O)c1ccc(CNC(=O)Cn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 6/20 0.51
▸ MAPK14 Q16539 5/20 0.51
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ METAP1 P53582 1/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23409671 0.88 TGFBR1 (0.52) TGFBR1MAPK14ALDH1A1AURKAAURKB
SCHEMBL23409949 0.86 TGFBR1 (0.56) TGFBR1MAPK14ALDH1A1LMNAKLKB1
SCHEMBL31519383 0.86 TGFBR1 (0.61) TGFBR1MAPK14ALDH1A1AURKAAURKB
Hydrochloric Acid SCHEMBL23409670 0.85 TGFBR1 (0.60) TGFBR1MAPK14AURKAAURKB
SCHEMBL29959820 0.85 TGFBR1 (0.59) TGFBR1MAPK14LMNAMAPTAURKA
SCHEMBL23409664 0.85 TGFBR1 (0.59) TGFBR1MAPK14LMNAMAPTAURKA
SCHEMBL28822071 0.85 TGFBR1 (0.69) TGFBR1MAPK14ALDH1A1LMNAAURKA
SCHEMBL23409951 0.84 TGFBR1 (0.59) TGFBR1MAPK14ALDH1A1LMNAAURKA
SCHEMBL28822090 0.84 TGFBR1 (0.62) TGFBR1MAPK14ALDH1A1LMNAMAPT
SCHEMBL28822077 0.84 TGFBR1 (0.59) TGFBR1MAPK14LMNAMAPTKLKB1

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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