SCHEMBL29959785

SCHEMBL29959785

O=C(Cn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1)NCc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 6/20 0.61
▸ MAPK14 Q16539 5/20 0.61
▸ CNR1 P21554 3/20 0.43
▸ F2 P00734 2/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.40

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
SCHEMBL23409924 1.00 TGFBR1 (0.61) TGFBR1MAPK14CNR1F2KMT2A
SCHEMBL28822090 0.90 TGFBR1 (0.62) TGFBR1MAPK14CNR1KMT2AMAPT
SCHEMBL28822071 0.90 TGFBR1 (0.69) TGFBR1MAPK14CNR1
SCHEMBL29959696 0.90 TGFBR1 (0.59) TGFBR1MAPK14CNR1KMT2A
SCHEMBL23409906 0.90 TGFBR1 (0.59) TGFBR1MAPK14CNR1KMT2A
SCHEMBL23409961 0.90 TGFBR1 (0.59) TGFBR1MAPK14THRB
SCHEMBL29959467 0.90 TGFBR1 (0.59) TGFBR1MAPK14THRB
SCHEMBL23409662 0.87 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL29959975 0.87 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL29959992 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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