SCHEMBL11855005

SCHEMBL11855005

OCCON(OCCO)c1nc(N2CCOCC2)c2ncccc2n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 18/20 0.55
▸ PIK3CD O00329 15/20 0.55
▸ PIK3CG P48736 14/20 0.55
▸ MTOR P42345 9/20 0.53
▸ PIK3R1 P27986 3/20 0.48
▸ SLC29A1 Q99808 1/20 0.44

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
SCHEMBL11849194 0.94 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGMTORPIK3R1
Hydrochloric Acid SCHEMBL11851136 0.93 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL11857793 0.87 PIK3CA (0.50) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL11852761 0.83 SLC29A1 (0.41) PIK3CAPIK3CDPIK3CGMTORPIK3R1
Hydrochloric Acid SCHEMBL11853330 0.82 SLC29A1 (0.40) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL11045336 0.76 SLC29A1 (0.47) PIK3CASLC29A1
SCHEMBL11046569 0.76 TSHR (0.49) SLC29A1
Hydrochloric Acid SCHEMBL11851126 0.75 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL2276716 0.72 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL27272553 0.72 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGMTORPIK3R1

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
US-3939268-A 2,4-Diamino substituted pyridol(3,2-d)pyrimidine as antithrombotic agents BOEHRINGER INGELHEIM GMBH (DT) 1976-02-17 — — US disclosed
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