SCHEMBL28756124

SCHEMBL28756124

COc1c(CNC(=O)CN(C)C)cc(C(C)(C)C)cc1OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SRC P12931 1/20 0.35
SYK P43405 1/20 0.35
GSK3A P49840 1/20 0.35
MAPK14 Q16539 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28756081 0.86 SRC (0.40) MEN1KMT2ASRCSYKGSK3A
SCHEMBL16829076 0.83 SRC (0.37) MEN1KMT2ATP53GAAALDH1A1
SCHEMBL16829092 0.78 MAPK14 (0.43) MEN1KMT2ATP53GAAALDH1A1
SCHEMBL28756073 0.78 MAPK14 (0.41) MEN1KMT2AALDH1A1SRCSYK
SCHEMBL28756194 0.78 GSK3A (0.39) SRCSYKGSK3AMAPK14
SCHEMBL16829431 0.77 ALDH1A1 (0.40) MEN1KMT2AALDH1A1SRCSYK
SCHEMBL28756114 0.75 GSK3A (0.39) MEN1KMT2ATP53SRCSYK
SCHEMBL19434654 0.69 ALDH1A1 (0.36) MEN1KMT2ATP53ALDH1A1MAPK14
SCHEMBL28664475 0.69 MAPT (0.38) MEN1KMT2ATP53ALDH1A1SRC
SCHEMBL29728524 0.69 RXRA (0.35) MEN1KMT2A

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-113717162-A Urea derivatives as kinase inhibitors 奥苏拉收购有限公司 2021-11-30 CN disclosed