SCHEMBL6903482

SCHEMBL6903482

CN1C(=O)OCC1c1ccc(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.42
GRM5 P41594 6/20 0.37
IDH1 O75874 1/20 0.34
AVPR1A P37288 1/20 0.33
NTRK1 P04629 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE10A Q9Y233 2/20 0.32
SLC40A1 Q9NP59 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
SCHEMBL16181420 0.84 MTOR (0.38) MTORMAPTPDE10A
SCHEMBL6902382 0.82 MTOR (0.37) MTORIDH1SMN1; SMN2PDE10A
SCHEMBL10308842 0.82 MTOR (0.39) MTORGRM5IDH1
SCHEMBL6903019 0.82 MTOR (0.40) MTORIDH1LMNAMAPTSMN1; SMN2
SCHEMBL6902761 0.77 MTOR (0.44) MTORIDH1
SCHEMBL6903965 0.76 CYP19A1 (0.39) MTORLMNAMAPTHTTSMN1; SMN2
SCHEMBL10308934 0.76 IDH1 (0.48) MTORIDH1MAPT
SCHEMBL6904739 0.75 MTOR (0.43) MTORIDH1
SCHEMBL6903480 0.73 MTOR (0.42) MTORIDH1LMNAMAPTSMN1; SMN2
SCHEMBL16181384 0.72 SRD5A1 (0.41) MTORHTT

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