SCHEMBL27787101

SCHEMBL27787101

C[C@H]1COCCN1c1c[c]nc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 12/20 0.44
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ ATRIP Q8WXE1 8/20 0.40
▸ PDCD1 Q15116 7/20 0.40
▸ CD274 Q9NZQ7 7/20 0.40
▸ CHEK1 O14757 6/20 0.40
▸ MTOR P42345 2/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ PDE4D Q08499 5/20 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
SCHEMBL27794167 0.83 AURKA (0.40) ATRPIK3CAMTOR
SCHEMBL2369766 0.78 PDCD1 (0.49) ATRPIK3CDPIK3CAATRIPPDCD1
SCHEMBL15805519 0.78 PDCD1 (0.49) ATRPIK3CDPIK3CAATRIPPDCD1
SCHEMBL2369761 0.78 PDCD1 (0.49) ATRPIK3CDPIK3CAATRIPPDCD1
SCHEMBL20797863 0.77 ATR (0.48) ATRPIK3CDPIK3CAATRIPPDCD1
SCHEMBL2513264 0.77 ATR (0.48) ATRPIK3CDPIK3CAATRIPPDCD1
SCHEMBL2369785 0.76 PIK3CD (0.57) ATRPIK3CDPIK3CAATRIPPDCD1
SCHEMBL20798067 0.76 PDCD1 (0.53) ATRPIK3CAATRIPPDCD1CD274
SCHEMBL17748706 0.76 ATR (0.47) ATRPIK3CDPIK3CAATRIPPDCD1
SCHEMBL20651554 0.76 PDCD1 (0.53) ATRPIK3CAATRIPPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101809002-B Morpholino pyrimidine derivatives for use in diseases associated with MTOR kinase and/or PI3K ASTRAZENECA AB 2013-03-27 — — CN disclosed
CN-101809002-A Morpholino pyrimidine derivatives for use in diseases associated with MTOR kinase and/or PI3K ASTRAZENECA AB 2010-08-18 — — CN disclosed
CN-101541781-A Morpholino pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB (SE) 2009-09-23 — — CN disclosed
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