SCHEMBL4473047

SCHEMBL4473047

O=C(C1CNCCO1)N1CCN(c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 7/20 0.40
PIK3CD O00329 6/20 0.40
ATR Q13535 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
PIK3CA P42336 5/20 0.36
PIK3CG P48736 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GBA1 P04062 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4570039 0.79 AKT1 (0.37) PIK3CBPIK3CDKDM4EHTTPIK3CA
SCHEMBL4564984 0.78 AKT1 (0.36) PIK3CBPIK3CDKDM4EHTTPIK3CA
SCHEMBL4524131 0.77 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL4564983 0.76 PIK3CD (0.40) PIK3CBPIK3CDKDM4EPIK3CAPIK3CG
SCHEMBL4469166 0.75 PIK3CA (0.41) PIK3CBPIK3CDPIK3CAPIK3CGMAPT
SCHEMBL4465034 0.75 PIK3CB (0.36) PIK3CBPIK3CDHTTPIK3CAGBA1
SCHEMBL4564097 0.74 HTT (0.40) PIK3CBPIK3CDKDM4EHTTPIK3CA
SCHEMBL5593318 0.73 PIK3CA (0.53) PIK3CBPIK3CDATRHTTPIK3CA
SCHEMBL3984371 0.72 MTOR (0.46) PIK3CBPIK3CDKDM4EPIK3CAPIK3CG
SCHEMBL13910560 0.71 CYP2C9 (0.50) KDM4EHTTMAPTLMNATP53

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-2057147-A1 PYRIMIDINE DERIVATIVES Astra Zeneca AB (SE) 2009-05-13 EP claimed
WO-2008032064-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO claimed