SCHEMBL6902136

SCHEMBL6902136

CCCC1COC(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MTOR P42345 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MAN2B1 O00754 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL12240429 1.00 PIK3CD (0.33) PIK3CDHTR1DHTR1BMTORIRAK4
SCHEMBL9323835 0.85 ALDH1A1 (0.41) MAN2B1CYP1A2
SCHEMBL2037181 0.84 PIK3CD (0.37) PIK3CDHTR1DHTR1BIRAK4
SCHEMBL12051595 0.83
SCHEMBL12240416 0.83
SCHEMBL6902383 0.83
SCHEMBL22788135 0.82 BRD4 (0.42) PIK3CDHTR1DHTR1BIRAK4
SCHEMBL22788136 0.82 HTR1D (0.33) PIK3CDHTR1DHTR1BIRAK4
SCHEMBL10570165 0.79 HTR1D (0.32) PIK3CDHTR1DHTR1BIRAK4
SCHEMBL21657362 0.78

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
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 WO disclosed