SCHEMBL12928112

SCHEMBL12928112

Bc1ccc2ncnc(OC3CCN(C)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 9/20 0.57
▸ PIK3CA P42336 8/20 0.57
▸ PIK3CB P42338 8/20 0.57
▸ PIK3CG P48736 8/20 0.57
▸ IRAK4 Q9NWZ3 3/20 0.50
▸ LRRK2 Q5S007 1/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ EGFR P00533 1/20 0.38

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
SCHEMBL12850523 0.85 IRAK4 (0.65) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL12850549 0.75 PIK3CA (0.57) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL26174568 0.73 DYRK1A (0.65) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26174767 0.72 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL26174694 0.72 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGLRRK2
SCHEMBL26175773 0.72 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL12276557 0.72 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL29313995 0.72 IRAK4 (0.66) IRAK4
SCHEMBL26174731 0.71 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26175734 0.71 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4

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-2011022439-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-02-24 — — WO disclosed
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