SCHEMBL30731018

SCHEMBL30731018

Nc1cc(C(=O)NCc2ccccc2)cnc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.56
▸ MAPK1 P28482 2/20 0.52
▸ SCN2A Q99250 1/20 0.51
▸ SCN10A Q9Y5Y9 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ NAMPT P43490 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ROCK2 O75116 1/20 0.49
▸ RPS6KA5 O75582 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ PRKACA P17612 1/20 0.49
▸ RPS6KB1 P23443 1/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ GSK3A P49840 1/20 0.49
▸ GSK3B P49841 1/20 0.49

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
SCHEMBL13443057 0.79 HCRTR1 (0.67) KMT2AHTT
SCHEMBL14082503 0.78 ROCK2 (0.74) HPGDSMAPK1SCN2ASCN10AKMT2A
SCHEMBL354041 0.76 TSHR (0.76) HPGDSMAPK1KMT2ASMN1; SMN2HDAC1
SCHEMBL246648 0.75 MMP13 (0.74) MAPK1HDAC1NAMPTRAB9AROCK2
SCHEMBL6316553 0.75 ALDH1A1 (0.66) MAPK1KMT2ASMN1; SMN2HTTNAMPT
SCHEMBL22573405 0.75 HTT (0.56) HPGDSMAPK1KMT2ASMN1; SMN2HTT
Iodide SCHEMBL15903217 0.75 TSHR (0.74) HPGDSMAPK1KMT2ASMN1; SMN2HDAC1
SCHEMBL12190863 0.74 SCN2A (0.62) MAPK1SCN2ASCN10AKMT2ASMN1; SMN2
SCHEMBL2984197 0.74 NAMPT (0.72) MAPK1KMT2AHTTNAMPTRAB9A
Hydrochloric Acid SCHEMBL11508166 0.73 TSHR (0.72) HPGDSMAPK1KMT2ASMN1; SMN2HDAC1

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-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 — — CN disclosed
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