SCHEMBL29978401

SCHEMBL29978401

Cc1cccc(-n2nc3c(c2-c2cc4ccncc4s2)CCC3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 1.00
TGFB2 P61812 1/20 0.49
CYP2A6 P11509 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.31
MAPK14 Q16539 2/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL2009808 1.00 TGFBR1 (1.00) TGFBR1TGFB2CYP2A6IRAK4MAPK14
SCHEMBL2010521 0.92 TGFBR1 (1.00) TGFBR1TGFB2MAPK14
SCHEMBL29977977 0.92 TGFBR1 (1.00) TGFBR1TGFB2MAPK14
SCHEMBL15445425 0.88 TGFBR1 (0.78) TGFBR1TGFB2RECQL
SCHEMBL2009749 0.80 TGFBR1 (1.00) TGFBR1TGFB2CYP2A6IRAK4
SCHEMBL29978376 0.80 TGFBR1 (1.00) TGFBR1TGFB2CYP2A6IRAK4
SCHEMBL2007716 0.72 TGFBR1 (1.00) TGFBR1TGFB2CYP2A6MAPK14
SCHEMBL29978020 0.71 TGFBR1 (1.00) TGFBR1TGFB2IRAK4MAPK14
SCHEMBL2011347 0.71 TGFBR1 (1.00) TGFBR1TGFB2IRAK4MAPK14
SCHEMBL25942605 0.70 TGFBR1 (0.55) TGFBR1IRAK4RECQL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090562-A1 FORMULATIONS OF ALK-5 KINASE INHIBITORS AND USES THEREOF THIRONA BIO, INC. (US) 2025-05-01 WO disclosed
EP-4333853-A1 METHODS FOR TREATING A PULMONARY DISEASE WITH AN ALK-5 (TGF BETA R1) INHIBITOR Thirona Bio, Inc. (US) 2024-03-13 EP disclosed
CN-117615765-A Methods of treating pulmonary diseases with ALK-5 (TGF beta R1) inhibitors 蒂罗纳生物股份有限公司 2024-02-27 CN disclosed
WO-2022235621-A1 METHODS FOR TREATING A PULMONARY DISEASE WITH AN ALK-5 (TGF BETA R1) INHIBITOR THIRONA BIO, INC. (US) 2022-11-10 WO disclosed