Sugi Predict

Sugi Predict / Compounds / SCHEMBL28299828

SCHEMBL28299828

SCHEMBL28299828

Cc1cc(Nc2nc(-c3ccccc3)nc3cc([N+](=O)[O-])ccc23)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 12/20 1.00
▸ AURKB Q96GD4 9/20 0.71
▸ SRC P12931 2/20 0.71
▸ GSK3B P49841 2/20 0.71
▸ EIF2AK2 P19525 1/20 0.71
▸ GSK3A P49840 1/20 0.71
▸ ABCG2 Q9UNQ0 7/20 0.57
▸ PDE5A O76074 1/20 0.55

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
SCHEMBL802209 0.84 AURKA (0.82) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL29435815 0.83 AURKA (1.00) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL462877 0.83 AURKA (1.00) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL801563 0.81 AURKA (0.73) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL14164040 0.81 AURKA (0.73) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL24022423 0.78 AURKA (0.88) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL801605 0.78 AURKA (0.79) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL805532 0.77 AURKA (0.67) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802191 0.77 AURKA (1.00) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL28299783 0.75 AURKA (1.00) AURKAAURKBSRCGSK3BEIF2AK2

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-106957303-B Quinazoline derivant of selective Aurora A kinase inhibiting activity and preparation method thereof and application 中山大学 2019-06-04 — — CN disclosed