SCHEMBL13622706

SCHEMBL13622706

O=Nc1cnc2nc(Cl)nc(N3CCOCC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MTOR P42345 5/20 0.37
PIK3CA P42336 5/20 0.37
PIK3CD O00329 4/20 0.37
PIK3CG P48736 2/20 0.37
MAT2A P31153 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
ADK P55263 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
PIK3CB P42338 1/20 0.34
PRKDC P78527 2/20 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
SCHEMBL13657231 0.85 PIK3CA (0.37) SMN1; SMN2MTORPIK3CAPIK3CDPIK3CG
SCHEMBL4127690 0.81 SMN1; SMN2 (0.48) SMN1; SMN2MTORPIK3CAPIK3CDPIK3CG
SCHEMBL4121635 0.78 ALDH1A1 (0.48) SMN1; SMN2POLBMAPT
SCHEMBL16094600 0.72 PIK3CA (0.60) SMN1; SMN2MTORPIK3CAPIK3CDPIK3CG
SCHEMBL28371323 0.69 SMN1; SMN2 (0.60) SMN1; SMN2MTORPIK3CAPOLBKDM4E
SCHEMBL1218884 0.69 SMN1; SMN2 (0.49) SMN1; SMN2MTORPIK3CAPIK3CDPIK3CG
SCHEMBL14849909 0.68 SMN1; SMN2 (0.42) SMN1; SMN2PIK3CAPOLBKDM4EMAPT
SCHEMBL10868875 0.68 ADK (0.48) SMN1; SMN2MTORPIK3CAPIK3CDPIK3CG
SCHEMBL3984786 0.68 PIK3CA (0.49) SMN1; SMN2MTORPIK3CAPIK3CDPIK3CG
SCHEMBL10871103 0.67 ADK (0.47) SMN1; SMN2MTORPOLBADKKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed