SCHEMBL24600522

SCHEMBL24600522

CN(CCc1cccc(Nc2ccnc3[nH]c(=O)ccc23)c1)SN

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ PTK6 Q13882 8/20 0.37
▸ TNNI3K Q59H18 1/20 0.37
▸ EGFR P00533 2/20 0.35
▸ ERBB2 P04626 5/20 0.35
▸ AURKA O14965 3/20 0.35
▸ SRC P12931 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ AURKC Q9UQB9 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ BPTF Q12830 1/20 0.33
▸ FBP1 P09467 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
SCHEMBL24600519 0.85 TNNI3K (0.40) APPNR4A2PTK6TNNI3KEGFR
Hydrochloric Acid SCHEMBL26679845 0.85 APP (0.40) APPNR4A2PTK6TNNI3KEGFR
Hydrochloric Acid SCHEMBL30546633 0.85 APP (0.40) APPNR4A2PTK6TNNI3KEGFR
Hydrochloric Acid SCHEMBL26679851 0.85 TNNI3K (0.40) APPNR4A2PTK6TNNI3KEGFR
SCHEMBL24600663 0.83 APP (0.44) APPNR4A2PTK6TNNI3KEGFR
SCHEMBL24600662 0.82 APP (0.41) APPNR4A2PTK6TNNI3KEGFR
Hydrochloric Acid SCHEMBL30546664 0.82 APP (0.43) APPNR4A2PTK6TNNI3KEGFR
Hydrochloric Acid SCHEMBL26679816 0.82 APP (0.43) APPNR4A2PTK6TNNI3KEGFR
Hydrochloric Acid SCHEMBL26679821 0.81 APP (0.41) APPNR4A2PTK6TNNI3KEGFR
SCHEMBL24600528 0.81 PTK6 (0.40) APPNR4A2PTK6TNNI3KEGFR

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-2022146022-A1 NOVEL NAPHTHYRIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE AND USE THEREOF 주식회사 티씨노바이오사이언스 2022-07-07 — — WO disclosed
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