SCHEMBL31307153

SCHEMBL31307153

Oc1c(CNC2CCCCC2)cc(Cl)c2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CHEK1 O14757 1/20 0.54
NTRK1 P04629 1/20 0.54
FYN P06241 1/20 0.54
RET P07949 1/20 0.54
MET P08581 1/20 0.54
PDGFRB P09619 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
PDGFRA P16234 1/20 0.54
LTK P29376 1/20 0.54
MAP2K2 P36507 1/20 0.54
FLT3 P36888 1/20 0.54
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
CDK8 P49336 1/20 0.54
GSK3B P49841 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54

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
SCHEMBL19437101 1.00 METAP2 (0.59) METAP2L3MBTL1CHEK1NTRK1FYN
SCHEMBL9996355 0.74 METAP2 (1.00) METAP2L3MBTL1KDM4ELMNAMAPT
SCHEMBL11955286 0.74 L3MBTL1 (0.66) METAP2L3MBTL1MMP9MMP2KDM4E
SCHEMBL10414290 0.74 CDK1 (0.67) METAP2L3MBTL1MMP9MMP2KDM4E
SCHEMBL10415547 0.74 MAPT (0.66) METAP2L3MBTL1MMP9MMP2KDM4E
SCHEMBL4665070 0.74 KDM1A (0.55) L3MBTL1KDM4ELMNAMAPTTDP1
SCHEMBL31452761 0.73 METAP2 (0.97) METAP2L3MBTL1KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL11663296 0.72 MAPT (0.64) METAP2L3MBTL1MMP9MMP2KDM4E
SCHEMBL31307151 0.72 KDM4E (0.62) METAP2L3MBTL1MMP9MMP2KDM4E
SCHEMBL19437094 0.72 KDM4E (0.62) METAP2L3MBTL1MMP9MMP2KDM4E

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
EP-3440070-B1 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES MTA TERMESZETTUDOMANYI KUTATOKOEZPONT (HU) 2024-10-30 EP claimed