SCHEMBL30303232

SCHEMBL30303232

Cn1ncc2c(Cl)ccnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.49
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
PDE2A O00408 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HAVCR2 Q8TDQ0 1/20 0.40
LMNA P02545 1/20 0.39
NSD2 O96028 1/20 0.39
PKM P14618 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
SCHEMBL129887 1.00 CCR4 (0.49) CCR4PI4KAPI4K2BPI4K2API4KB
SCHEMBL256212 0.78 PI4KA (0.47) CCR4PI4KAPI4K2BPI4K2API4KB
SCHEMBL23579589 0.78 XDH (0.47) KMT2A
SCHEMBL30033318 0.78 XDH (0.47) KMT2A
SCHEMBL12536680 0.77 PI4KA (0.46) CCR4PI4KAPI4K2BPI4K2API4KB
SCHEMBL31175304 0.77 PI4KA (0.46) CCR4PI4KAPI4K2BPI4K2API4KB
SCHEMBL2822778 0.77 PI4KA (0.46) CCR4PI4KAPI4K2BPI4K2API4KB
SCHEMBL20030782 0.77 PI4KA (0.46) CCR4PI4KAPI4K2BPI4K2API4KB
SCHEMBL889766 0.77 PI4KA (0.55) CCR4PI4KAPI4K2BPI4K2API4KB
SCHEMBL30324182 0.77 PI4KA (0.46) CCR4PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
EP-4405051-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
CN-118076604-A Pyrazolo [3,4-b ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-05-24 CN disclosed
EP-4182032-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-05-24 EP disclosed
WO-2023046806-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-03-30 WO disclosed
CN-115835910-A Hydrogenated isoquinoline or naphthyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-03-21 CN disclosed