SCHEMBL5274929

SCHEMBL5274929

COc1cc(C2c3ccccc3N(C)c3ccccc32)c(OC)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ CHEK1 O14757 2/20 0.40
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ MET P08581 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39

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
SCHEMBL6265107 0.81 CHEK1 (0.44) LMNACHEK1AURKADAPK3JAK2
SCHEMBL10368739 0.69 HSD11B1 (0.45) LMNAALDH1A1HSD17B10L3MBTL1GAA
SCHEMBL28415395 0.69 SLC6A2 (0.48) LMNACHEK1AURKADAPK3JAK2
Bromide SCHEMBL28412457 0.68 SLC6A2 (0.47) LMNACHEK1AURKADAPK3JAK2
SCHEMBL926329 0.67 L3MBTL1 (0.67) LMNAALDH1A1TDP1ADRA2BPTGS1
SCHEMBL6904077 0.65 CHEK1 (0.65) LMNACHEK1AURKADAPK3JAK2
SCHEMBL5272690 0.65 CHEK1 (0.64) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL18639529 0.65 SNCA (0.40) LMNACHEK1AURKADAPK3JAK2
SCHEMBL17187194 0.65 HDAC4 (0.48) CHEK1AURKADAPK3JAK2PRKD3
Iodide SCHEMBL28598560 0.64 CHEK1 (0.62) LMNACHEK1AURKADAPK3JAK2

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-1587793-B1 ENZYME SUBSTRATES, CULTURE MEDIA CONTAINING SAME AND USE THEREOF IN ORDER TO DETECT AMINOPEPTIDASE ACTIVITY AND/OR DIFFERENTIATE GRAM-POSITIVE BACTERIA FROM GRAM-NEGATIVE BACTERIA BIOMERIEUX SA (FR) 2007-11-28 — — EP disclosed
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