SCHEMBL7305061

SCHEMBL7305061

Nc1ccc2nc([C]=O)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.50
MAPKAPK2 P49137 1/20 0.41
RPS6KA3 P51812 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
EGFR P00533 2/20 0.41
KMT2A Q03164 3/20 0.40
ATM Q13315 2/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 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
SCHEMBL95119 0.75 ALDH1A1 (0.47) KMT2AHTTMEN1LMNAKDM4E
SCHEMBL3531494 0.74 NQO2 (0.45) KDRKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL7307217 0.73 ALDH1A1 (0.47) KMT2AHTTMEN1LMNAMAPT
SCHEMBL9427593 0.72 TLR9 (0.54) TLR9MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL5341033 0.72 KDM4E (0.55) TLR9MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL13954226 0.70 ALDH1A1 (0.61) TLR9MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL28853094 0.69 TLR9 (0.81) TLR9KMT2AATMMEN1LMNA
SCHEMBL3480837 0.69 KMT2A (0.67) TLR9EGFRKMT2AATMHTT
SCHEMBL29922808 0.69 KMT2A (0.67) TLR9EGFRKMT2AATMHTT
SCHEMBL4586206 0.69 KMT2A (0.67) TLR9EGFRKMT2AATMHTT

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
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP claimed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed