SCHEMBL29959800

SCHEMBL29959800

O=C(Cn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1)NCc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.58
▸ MAPK14 Q16539 5/20 0.58
▸ CNR1 P21554 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TP53 P04637 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
SCHEMBL23409679 1.00 TGFBR1 (0.58) TGFBR1MAPK14CNR1MAPTHDAC6
SCHEMBL23409854 0.89 TGFBR1 (0.56) TGFBR1MAPK14CNR1MAPTSMN1; SMN2
SCHEMBL29959791 0.89 TGFBR1 (0.56) TGFBR1MAPK14MAPTNPC1AURKA
SCHEMBL23409669 0.89 TGFBR1 (0.56) TGFBR1MAPK14MAPTNPC1AURKA
SCHEMBL29960223 0.89 TGFBR1 (0.56) TGFBR1MAPK14CNR1MAPTSMN1; SMN2
SCHEMBL23409871 0.89 TGFBR1 (0.61) TGFBR1MAPK14
SCHEMBL29959670 0.89 TGFBR1 (0.61) TGFBR1MAPK14
SCHEMBL28822090 0.88 TGFBR1 (0.62) TGFBR1MAPK14CNR1MAPTTHRB
SCHEMBL28822071 0.88 TGFBR1 (0.69) TGFBR1MAPK14CNR1SMN1; SMN2AURKA
SCHEMBL23409924 0.86 TGFBR1 (0.61) TGFBR1MAPK14CNR1MAPTTHRB

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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