SCHEMBL5065122

SCHEMBL5065122

Nc1ncnc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 9/20 0.57
▸ PIK3CA P42336 9/20 0.57
▸ PIK3CB P42338 9/20 0.57
▸ PIK3CG P48736 9/20 0.57
▸ PRKDC P78527 9/20 0.57
▸ SRC P12931 3/20 0.46
▸ EGFR P00533 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NUDT14 O95848 1/20 0.45
▸ NUDT5 Q9UKK9 1/20 0.45
▸ MAP4K4 O95819 2/20 0.44
▸ ABL1 P00519 2/20 0.43
▸ YTHDC1 Q96MU7 1/20 0.42

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
SCHEMBL408618 0.97 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL200349 0.87 NUDT14 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387175 0.87 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL29439185 0.86 NUDT14 (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15613778 0.84 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3782102 0.84 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL11325 0.84 PIK3CG (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3715031 0.84 SRC (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20793881 0.82 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3605078 0.82 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 — — EP disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 — — WO disclosed
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