SCHEMBL29664232

SCHEMBL29664232

Nc1cccc(-c2cn3ccnc(Nc4ncc(F)cn4)c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.53
SYK P43405 7/20 0.52
CD63 P08962 3/20 0.52
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TMIGD3 P0DMS9 4/20 0.43
ADORA3 P0DMS8 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 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
SCHEMBL29664463 0.92 AURKA (0.64) AURKASYKCD63ALDH1A1POLB
SCHEMBL24864102 0.79 AURKA (0.62) AURKASYKCD63ALDH1A1POLB
SCHEMBL2216977 0.74 AURKA (0.77) AURKASYKCD63ALDH1A1POLB
SCHEMBL29664428 0.73 HTR2C (0.37) AURKATMIGD3ADORA3
SCHEMBL4803454 0.73 ALDH1A1 (0.59) AURKASYKCD63ALDH1A1POLB
SCHEMBL12514839 0.72 AURKA (0.79) AURKASYKCD63
SCHEMBL24864099 0.70 AURKA (0.61) AURKASYKCD63ALDH1A1POLB
SCHEMBL4836906 0.69 SYK (0.67) AURKASYKCD63
SCHEMBL4838189 0.69 SYK (0.65) AURKASYKCD63
SCHEMBL5474690 0.68 EPHB4 (0.64) SYK

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-113480543-B 2,6, 8-polysubstituted imidazo [1,2-a ] pyrazine and synthetic method and application thereof 无锡市第二人民医院 2022-05-17 CN disclosed