SCHEMBL23217952

SCHEMBL23217952

Cc1cccc(C(=O)Cc2ccc3ncc(C(O)CNC(=O)OC(C)(C)C)nc3c2)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.33
PDPK1 O15530 1/20 0.33
GRM2 Q14416 1/20 0.33
BCHE P06276 1/20 0.32
SYK P43405 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
GLS O94925 1/20 0.31
P2RX7 Q99572 1/20 0.31
BRD4 O60885 3/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
NAMPT P43490 3/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 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
SCHEMBL23217897 0.85 NPC1 (0.34) TGFBR1PDPK1PCSK9CKS1BSKP1
SCHEMBL23217953 0.82 PDK2 (0.36) TGFBR1BCHECKS1BSKP1SKP2
SCHEMBL23217905 0.77 CA12 (0.40) BCHECKS1BSKP1SKP2KDM4E
SCHEMBL8293584 0.75 PCSK9 (0.42) BCHESYKPCSK9P2RX7BRD4
SCHEMBL23217942 0.74 TGFBR1 (0.47) TGFBR1PDPK1
SCHEMBL14576794 0.71 NPC1 (0.48) TGFBR1P2RX7LMNA
SCHEMBL17827871 0.70 P2RX7 (0.48) BCHEPCSK9CKS1BSKP1SKP2
SCHEMBL4920111 0.68 PCSK9 (0.40) GRM2BCHESYKPCSK9CKS1B
SCHEMBL23389840 0.67 NPC1 (0.40) TGFBR1P2RX7LMNA
SCHEMBL29796631 0.67 NPC1 (0.40) TGFBR1P2RX7LMNA

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
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed