SCHEMBL31746964

SCHEMBL31746964

Cc1n[nH]c2cc(Nc3cccc4ccn(CC(=O)Nc5cnoc5)c(=O)c34)ccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.38
POLB P06746 4/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALK Q9UM73 2/20 0.35
ENPP2 Q13822 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 3/20 0.33
IDO1 P14902 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 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
SCHEMBL25073772 1.00 NLRP3 (0.38) NLRP3POLBLMNAALDH1A1L3MBTL1
SCHEMBL31162661 0.86 MAPT (0.43) NLRP3POLBLMNAALDH1A1L3MBTL1
SCHEMBL31746908 0.85 KDR (0.45) NLRP3POLBLMNAKMT2ARXFP1
SCHEMBL25073769 0.85 KDR (0.45) NLRP3POLBLMNAKMT2ARXFP1
SCHEMBL31746882 0.85 NLRP3 (0.41) NLRP3POLBLMNAALDH1A1L3MBTL1
SCHEMBL25073807 0.85 NLRP3 (0.41) NLRP3POLBLMNAALDH1A1L3MBTL1
SCHEMBL25073905 0.84 MAPK8 (0.38) NLRP3ALKKMT2A
SCHEMBL31746899 0.84 MAPK8 (0.38) NLRP3ALKKMT2A
SCHEMBL25073889 0.82 KMT2A (0.37) NLRP3POLBLMNAALDH1A1MEN1
SCHEMBL31746887 0.82 KMT2A (0.37) NLRP3POLBLMNAALDH1A1MEN1

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