SCHEMBL25722032

SCHEMBL25722032

CCc1cnc2c(N3CCOCC3)nc(NN)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.55
▸ HRH4 Q9H3N8 3/20 0.55
▸ HRH3 Q9Y5N1 3/20 0.55
▸ HRH2 P25021 2/20 0.49
▸ HRH1 P35367 2/20 0.49
▸ PIK3CA P42336 12/20 0.41
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PIK3CD O00329 8/20 0.39
▸ PIK3CG P48736 7/20 0.39
▸ MTOR P42345 5/20 0.39
▸ NUDT1 P36639 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36

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
SCHEMBL16919692 0.82 KCNH2 (0.55) KCNH2HRH4HRH3HRH2HRH1
SCHEMBL25277503 0.81 PIK3CA (0.46) PIK3CALMNAALDH1A1SMN1; SMN2GAA
SCHEMBL16919667 0.78 PIK3CA (0.55) KCNH2HRH4HRH3PIK3CALMNA
SCHEMBL25223154 0.76 GAK (0.56) HRH4HRH3HRH1PIK3CALMNA
SCHEMBL19445263 0.75 PIK3CA (0.61) KCNH2HRH4HRH3PIK3CALMNA
SCHEMBL25277910 0.74 PIK3CD (0.61) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL19445264 0.73 PIK3CA (0.53) KCNH2HRH4HRH3PIK3CAALDH1A1
SCHEMBL25231114 0.71 STAT3 (0.49) PIK3CAMTOR
SCHEMBL27275652 0.71 PIK3CA (0.38) PIK3CALMNAALDH1A1SMN1; SMN2PIK3CD
SCHEMBL16919689 0.71 PIK3CA (0.52) KCNH2HRH4HRH3PIK3CAALDH1A1

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
WO-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
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