SCHEMBL8219009

SCHEMBL8219009

C=S(=O)(C(C)C)C(C)(C)c1cc(N2CCOC[C@@H]2C)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.57
PIK3CA P42336 7/20 0.57
ATR Q13535 13/20 0.49
PDCD1 Q15116 10/20 0.49
CD274 Q9NZQ7 10/20 0.49
CHEK1 O14757 8/20 0.49
ATRIP Q8WXE1 8/20 0.49
MTOR P42345 2/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL11898425 0.91 PIK3CA (0.59) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL3606397 0.91 PIK3CA (0.59) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL738650 0.88 PIK3CA (0.72) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL3594578 0.88 PIK3CA (0.61) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL3602834 0.86 PIK3CA (0.61) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL3591707 0.86 PIK3CD (0.59) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL13283656 0.85 PIK3CA (0.59) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL740453 0.84 PIK3CA (0.60) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL3606254 0.84 PIK3CD (0.57) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL3601618 0.84 PDCD1 (0.57) PIK3CDPIK3CAATRPDCD1CD274

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-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed