SCHEMBL6904739

SCHEMBL6904739

Cc1nc(C2COC(=O)N2C)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.43
MGLL Q99685 1/20 0.36
GRIN1 Q05586 10/20 0.36
GRIN2B Q13224 10/20 0.36
POLQ O75417 2/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL10308878 0.82 MTOR (0.41) MTORMGLLGRIN1GRIN2BPOLQ
SCHEMBL16181401 0.78 MTOR (0.40) MTORGRIN1GRIN2BPOLQIDH1
SCHEMBL16181417 0.77 MTOR (0.37) MTORIDH1
SCHEMBL6903482 0.75 MTOR (0.42) MTORIDH1
SCHEMBL16181420 0.74 MTOR (0.38) MTOR
SCHEMBL6902761 0.73 MTOR (0.44) MTORGRIN1GRIN2BIDH1
SCHEMBL6902382 0.72 MTOR (0.37) MTORIDH1
SCHEMBL10308940 0.72 MTOR (0.38) MTOR
SCHEMBL8168600 0.72 MTOR (0.38) MTOR
SCHEMBL6902759 0.71 MAPK1 (0.40) MTOR

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