SCHEMBL16728713

SCHEMBL16728713

C[C@@H]1N(c2cccc3c2oc2ncccc23)c2ccccc2N1C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.33
▸ PIK3C2A O00443 1/20 0.33
▸ PIK3C2B O00750 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL16716118 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16728711 0.80 KDM4E (0.33) PIK3CAPIK3C2APIK3C2BPIK3R1PRKDC
SCHEMBL25705867 0.80 KDM4E (0.35) PIK3CAPIK3C2APIK3C2BPIK3R1PRKDC
SCHEMBL16716123 0.79 PIK3CA (0.31) PIK3CAALDH1A1
SCHEMBL26300860 0.78 PIK3CA (0.34) PIK3CAPIK3C2APIK3C2BPIK3R1PRKDC
SCHEMBL16728733 0.76 KDM4E (0.32) PIK3CAPIK3C2APIK3C2BPIK3R1PRKDC
SCHEMBL26234183 0.76 KDM4E (0.32) PIK3CAPIK3C2APIK3C2BPIK3R1PRKDC
SCHEMBL16728712 0.76 PIK3CA (0.33) PIK3CAPIK3C2APIK3C2BPIK3R1PRKDC
SCHEMBL27432310 0.75 SMN1; SMN2 (0.35) PIK3CAPIK3C2APIK3C2BPIK3R1PRKDC
SCHEMBL26289041 0.74 PIK3CA (0.34) PIK3CAPIK3C2APIK3C2BPIK3R1PRKDC

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-20150137096-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-05-21 — — US disclosed
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