SCHEMBL31277403

SCHEMBL31277403

COc1c(Cl)nc(N2CCOCC2)nc1Oc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ RAD52 P43351 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL25256747 1.00 PIK3CA (0.51) PIK3CAL3MBTL1MAPTPOLBMEN1
SCHEMBL25220780 0.83 PIK3CA (0.47) PIK3CAL3MBTL1MAPTPOLBMEN1
SCHEMBL30447441 0.83 PIK3CA (0.47) PIK3CAL3MBTL1MAPTPOLBMEN1
SCHEMBL25219873 0.78 PIK3CA (0.47) PIK3CAL3MBTL1POLBHTTHRH4
SCHEMBL30447687 0.78 PIK3CA (0.47) PIK3CAL3MBTL1POLBHTTHRH4
SCHEMBL25256261 0.77 PIK3CA (0.47) PIK3CAMAPTPOLBMEN1KMT2A
SCHEMBL30448081 0.77 PIK3CA (0.47) PIK3CAMAPTPOLBMEN1KMT2A
SCHEMBL11864650 0.75 MAPT (0.52) PIK3CAL3MBTL1MAPTMEN1KMT2A
SCHEMBL4064654 0.75 L3MBTL1 (0.52) PIK3CAL3MBTL1MAPTPOLBMEN1
SCHEMBL25213865 0.74 PIK3CA (0.48) PIK3CAPOLBMEN1KMT2AHRH4

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-118922188-A Pyrimidine and methods of use thereof 奇尼塔公司 2024-11-08 — — CN disclosed
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