SCHEMBL22923930

SCHEMBL22923930

COC(=O)c1c(C)c(C2CCNCC2)cn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.44
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
AXL P30530 1/20 0.37
PLAT P00750 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
BRPF1 P55201 1/20 0.37
LMNA P02545 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 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
SCHEMBL22923843 0.92 MEN1 (0.49) MEN1KMT2ASLC6A4SLC6A3ALDH1A1
SCHEMBL22924008 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNA
SCHEMBL22923842 0.81 LMNA (0.45) MEN1KMT2AKCNH2LMNADRD2
SCHEMBL30367378 0.78 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22923865 0.76 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22923929 0.76 DRD2 (0.45) MEN1KMT2ALMNAHTR6DRD2
SCHEMBL22924015 0.74 MEN1 (0.35) MEN1KMT2AKCNH2ALDH1A1LMNA
SCHEMBL22923862 0.73 MEN1 (0.56) MEN1KMT2ASLC6A4SLC6A3ALDH1A1
SCHEMBL22923944 0.71 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22923868 0.71 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDLMNA

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
WO-2021012717-A1 ANTITUMOR COMPOUND USED AS AXL INHIBITOR AND USE THEREOF 南京华威医药科技集团有限公司 2021-01-28 WO disclosed