SCHEMBL909779

SCHEMBL909779

CN(C)CCCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 17/20 0.84
PIK3CA P42336 17/20 0.84
PIK3CD O00329 15/20 0.84
PIK3R1 P27986 15/20 0.84

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
SCHEMBL2817113 0.92 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL910301 0.91 PIK3CD (0.75) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL477288 0.90 PIK3CB (0.85) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL2811341 0.90 PIK3CB (0.78) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL477219 0.88 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL2816961 0.87 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL477377 0.87 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL909478 0.86 PIK3CA (0.81) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL909262 0.85 PIK3CD (0.85) PIK3CBPIK3CAPIK3CDPIK3R1
Hydrochloric Acid SCHEMBL6522217 0.85 PIK3CD (0.84) PIK3CBPIK3CAPIK3CDPIK3R1

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-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO disclosed