SCHEMBL28096054

SCHEMBL28096054

C#Cc1cccc(Nc2ccc3ncccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EGFR P00533 8/20 0.48
GAK O14976 3/20 0.48
GRM4 Q14833 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
PABPC1 P11940 1/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 3/20 0.43
FBP1 P09467 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL28243561 0.86 CDC7 (0.50) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL1011248 0.80 PABPC1 (0.59) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL738379 0.80 NPC1 (0.57) NPC1MAPTPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL21436092 0.78 NPC1 (0.55) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL6313338 0.77 EGFR (0.45) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL6748149 0.77 NPC1 (0.63) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL1008997 0.77 NPC1 (0.58) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL31235641 0.77 NPC1 (0.51) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL15940145 0.77 NPC1 (0.51) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5758552 0.75 NPC1 (0.60) NPC1MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036006-A The preparation and use of pyrimidone derivatives 癌症研究科技有限公司 2019-07-19 CN disclosed
CN-109689063-A Nucleotide containing alkynes and nucleosides therapeutic combination and its associated uses 埃默里大学 2019-04-26 CN disclosed
CN-109641056-A Pharmaceutical composition 协和发酵麒麟株式会社 2019-04-16 CN disclosed
CN-109134640-A GM-CSF and IL-4 conjugates, composition and relative method 爱默蕾大学 2019-01-04 CN disclosed
CN-104870477-B GM-CSF and I L-4 conjugates, compositions, and methods related thereto 爱默蕾大学 2018-10-09 CN disclosed
CN-106458821-A BH4 antagonists and methods related thereto 爱默蕾大学 2017-02-22 CN disclosed
CN-104470922-B Pharmaceutical active compounds 癌症研究科技有限公司 2016-08-24 CN disclosed