SCHEMBL29968495

SCHEMBL29968495

CC(=O)N1CCC2(CC1)CN(c1cc(Cl)nc(OC3CCOCC3)n1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 6/20 0.43
HPGD P15428 4/20 0.43
USP2 O75604 3/20 0.43
HIF1A Q16665 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
KRAS P01116 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 3/20 0.37
LOXL2 Q9Y4K0 2/20 0.36

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
SCHEMBL23763096 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDUSP2HIF1A
SCHEMBL23763177 0.86 KRAS (0.36) KRASKMT2ACYP2D6CYP1A2
SCHEMBL855780 0.78 CYP1A2 (0.55) CYP2C19MEN1KMT2ACYP2D6CYP1A2
SCHEMBL23763097 0.77 MAP3K12 (0.43) ALDH1A1HSD17B10HPGDUSP2HIF1A
SCHEMBL23763095 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDUSP2HIF1A
SCHEMBL29968245 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDUSP2HIF1A
SCHEMBL29969097 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDUSP2HIF1A
SCHEMBL23763390 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDUSP2HIF1A
SCHEMBL29969109 0.73 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDUSP2HIF1A
SCHEMBL23763276 0.73 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDUSP2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151534-B Inhibitors of interleukin-1 receptor associated kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof and methods of use thereof 南京药石科技股份有限公司 2024-02-06 CN disclosed
CN-115151534-A Inhibitors of interleukin-1 receptor-related kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2022-10-04 CN disclosed