SCHEMBL25733488

SCHEMBL25733488

c1cc(-c2nc3c(N4CCOCC4)nc(-n4ccc(C5CCOCC5)n4)nc3[nH]2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.34
▸ PIK3CA P42336 9/20 0.34
▸ MTOR P42345 8/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ PRKD1 Q15139 1/20 0.32

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
SCHEMBL31730968 1.00 AR (0.34) ARPIK3CAMTORPIK3CGPIK3R1
SCHEMBL25229561 0.94 PIK3CA (0.34) ARPIK3CAMTORPIK3CGPIK3R1
SCHEMBL31730909 0.89 MAPK11 (0.35) ROCK2ROCK1PRKD1
SCHEMBL25733532 0.89 MAPK11 (0.35) ROCK2ROCK1PRKD1
SCHEMBL25279197 0.87 PIK3CA (0.34) PIK3CAMTORPIK3CGLMNA
SCHEMBL25280586 0.85 GPR119 (0.44) PIK3CAMTORPIK3CGHTT
SCHEMBL31730977 0.79 KDM4E (0.38) PIK3CAROCK2ROCK1
SCHEMBL25733537 0.79 KDM4E (0.38) PIK3CAROCK2ROCK1
SCHEMBL25276103 0.77 KDM4E (0.44) —
SCHEMBL31731048 0.76 CNR2 (0.38) ARPIK3CAMTORPIK3CG

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-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
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