SCHEMBL29959983

SCHEMBL29959983

Cc1cccc(-c2nn(CC(=O)NCc3ccccc3F)cc2-c2ccnc3ccccc23)n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 19/20 0.67
▸ MAPK14 Q16539 5/20 0.67
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL23409675 1.00 TGFBR1 (0.67) TGFBR1MAPK14KDM4ERAB9A
SCHEMBL28822081 0.93 TGFBR1 (0.68) TGFBR1MAPK14
SCHEMBL29959769 0.92 TGFBR1 (0.63) TGFBR1MAPK14
SCHEMBL23409676 0.92 TGFBR1 (0.63) TGFBR1MAPK14
SCHEMBL28822070 0.92 TGFBR1 (0.63) TGFBR1MAPK14
SCHEMBL29959670 0.90 TGFBR1 (0.61) TGFBR1MAPK14
SCHEMBL23409871 0.90 TGFBR1 (0.61) TGFBR1MAPK14
SCHEMBL23409876 0.89 TGFBR1 (0.68) TGFBR1MAPK14
SCHEMBL29959691 0.89 TGFBR1 (0.68) TGFBR1MAPK14
SCHEMBL23409854 0.89 TGFBR1 (0.56) TGFBR1MAPK14KDM4ERAB9A

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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