SCHEMBL14625992

SCHEMBL14625992

CN(C)C(=O)c1cnc(N2CCOCC2)nc1N

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.60
KMT2A Q03164 1/20 0.52
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
PIK3CA P42336 7/20 0.47
PIK3R1 P27986 5/20 0.47
MTOR P42345 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.44
ATR Q13535 1/20 0.44

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
SCHEMBL12091894 0.84 PIK3CA (0.56) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL245978 0.83 PTPN11 (0.69) PTPN11KMT2APIK3CAKDM4EALDH1A1
SCHEMBL14590423 0.82 PTPN11 (0.46) PTPN11KMT2AJAK2JAK1TYK2
SCHEMBL244184 0.79 KDM4E (0.66) PTPN11KMT2APIK3CAKDM4EALDH1A1
SCHEMBL14625957 0.76 PTPN11 (0.57) PTPN11KMT2APIK3CAKDM4EALDH1A1
SCHEMBL21121002 0.74 KMT2A (0.58) PTPN11KMT2APIK3CAPIK3R1MTOR
SCHEMBL1013949 0.72 POLB (0.59) PTPN11KMT2APIK3CAPIK3R1MTOR
SCHEMBL24196192 0.71 KDM4E (0.69) PTPN11KMT2APIK3CAPIK3R1MTOR
SCHEMBL26647400 0.71 PIK3CA (0.56) PTPN11KMT2APIK3CAPIK3R1MTOR
SCHEMBL245017 0.71 ALDH1A1 (0.63) PTPN11KMT2APIK3CAPIK3R1MTOR

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-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed