SCHEMBL30832867

SCHEMBL30832867

NC(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 6/20 0.82
F2 P00734 1/20 0.77
F10 P00742 1/20 0.77
F7 P08709 1/20 0.77
CBFB Q13951 6/20 0.65
METAP2 P50579 5/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 3/20 0.65
PKM P14618 3/20 0.65
TP53 P04637 2/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
GAA P10253 1/20 0.65
PKN1 Q16512 1/20 0.62
PKN2 Q16513 1/20 0.62

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
SCHEMBL6686459 0.90 CHEK2 (1.00) CHEK2F2F10F7PKN1
SCHEMBL29517866 0.90 CHEK2 (0.67) CHEK2F2F10F7CBFB
SCHEMBL179156 0.90 CHEK2 (0.67) CHEK2F2F10F7CBFB
SCHEMBL19970726 0.88 F2 (0.70) CHEK2F2F10F7CBFB
SCHEMBL11035024 0.87 METAP1 (0.70) CHEK2F2F10F7CBFB
SCHEMBL7371342 0.87 F2 (1.00) CHEK2F2F10F7CBFB
SCHEMBL19982677 0.84 F2 (0.65) CHEK2F2F10F7CBFB
SCHEMBL32660766 0.84 F2 (0.65) CHEK2F2F10F7CBFB
SCHEMBL7368937 0.81 F2 (0.67) CHEK2F2F10F7CBFB
SCHEMBL3921720 0.80 CHEK2 (0.83) CHEK2HPGDKDM4EMAPTPKN1

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-111315735-B Dihydrobenzimidazolone C4医药公司 2024-03-08 CN disclosed