SCHEMBL31453014

SCHEMBL31453014

COc1cc2nc(Cl)nc(NCCN3CCN(C)CC3)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
PGK1 P00558 3/20 0.63
KMT5A Q9NQR1 12/20 0.62
EHMT2 Q96KQ7 2/20 0.61
TLR9 Q9NR96 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49

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
SCHEMBL26754600 0.83 KMT5A (0.62) HTTKMT5AEHMT2
SCHEMBL31453017 0.81 TLR9 (0.72) PGK1KMT5AEHMT2TLR9KDM1A
SCHEMBL31453013 0.80 TLR9 (0.57) HTTPGK1KMT5ATLR9SMN1; SMN2
SCHEMBL26530735 0.80 HTT (0.78) HTTPGK1KMT5AEHMT2SMN1; SMN2
SCHEMBL20281125 0.79 HTT (0.76) HTTKMT5AEHMT2SMN1; SMN2
SCHEMBL31453016 0.78 TLR9 (0.60) PGK1KMT5AEHMT2TLR9SMN1; SMN2
SCHEMBL8890898 0.78 APP (0.58) TLR9
SCHEMBL30125103 0.78 APP (0.58) TLR9
SCHEMBL13975792 0.78 HTT (0.74) HTTKMT5AEHMT2
SCHEMBL1291856 0.77 PGK1 (1.00) PGK1KMT5ATLR9

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-119751364-A Dimethoxy quinazoline compound and application thereof 中日友好医院(中日友好临床医学研究所) 2025-04-04 CN disclosed