SCHEMBL31746919

SCHEMBL31746919

Cn1ncc2cc(Nc3cccc4ccn(CC(=O)Nc5cnoc5)c(=O)c34)cnc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.37
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
NOTUM Q6P988 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL25073879 1.00 NLRP3 (0.37) NLRP3ALDH1A1POLBLMNAL3MBTL1
SCHEMBL25073761 0.89 NOTUM (0.41) NLRP3ALDH1A1POLBLMNAL3MBTL1
SCHEMBL31162540 0.86 RXFP1 (0.47) NLRP3ALDH1A1POLBLMNAHPGD
SCHEMBL31746966 0.86 RXFP1 (0.40) NLRP3ALDH1A1POLBLMNAL3MBTL1
SCHEMBL25073805 0.86 RXFP1 (0.40) NLRP3ALDH1A1POLBLMNAL3MBTL1
SCHEMBL25073833 0.85 NLRP3 (0.38) NLRP3ALDH1A1POLBLMNAL3MBTL1
SCHEMBL31746970 0.84 NAMPT (0.36) NLRP3ALDH1A1POLBNOTUMKMT2A
SCHEMBL25073904 0.84 NAMPT (0.36) NLRP3ALDH1A1POLBNOTUMKMT2A
SCHEMBL25073881 0.84 RXFP1 (0.41) NLRP3ALDH1A1POLBLMNAKMT2A
SCHEMBL31746957 0.84 RXFP1 (0.41) NLRP3ALDH1A1POLBLMNAKMT2A

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
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 EP disclosed