SCHEMBL28941018

SCHEMBL28941018

CN(C)C(=O)c1ncc(OC(N)=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GCK P35557 10/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.34
PARP1 P09874 1/20 0.33
MAP4K1 Q92918 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL28940910 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL15142128 0.79 GCK (0.39) GCKALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL28816899 0.79 KMT2A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2SIRT2
SCHEMBL28286226 0.78 DYRK1A (0.43) MEN1KMT2AGCKALDH1A1HPGD
SCHEMBL28940975 0.75 MEN1 (0.37) MEN1KMT2AHPGDSMN1; SMN2PARP1
SCHEMBL24655830 0.75 MAP4K1 (0.40) MEN1KMT2AGCKALDH1A1HPGD
SCHEMBL459076 0.75 KMT2A (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL29225084 0.75 SIRT2 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL28595145 0.74 ALDH1A1 (0.39) MEN1KMT2AGCKALDH1A1HPGD
SCHEMBL15780518 0.72 APLNR (0.41) MEN1KMT2AGCKALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed