SCHEMBL30886293

SCHEMBL30886293

Cn1ncc2c(N)ncc(N)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 2/20 0.52
▸ PI4K2B Q8TCG2 2/20 0.52
▸ PI4K2A Q9BTU6 2/20 0.52
▸ PI4KB Q9UBF8 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.37
▸ XDH P47989 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL25320978 0.85 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL25320775 0.77 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL31318903 0.75 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL25899012 0.74 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL31318933 0.73 LRRK2 (0.48) PI4KAPI4K2BPI4K2API4KBBTK
SCHEMBL25899217 0.72 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL31318904 0.71 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALOX15
SCHEMBL31178973 0.71 AXL (0.43) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL15081208 0.71 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL25899266 0.71 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBALDH1A1

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
CN-118047793-A Pyridine derivative and application thereof 成都百裕制药股份有限公司 2024-05-17 — — CN disclosed
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