SCHEMBL6235271

SCHEMBL6235271

CC1(Nc2nc(Cl)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
ACHE P22303 2/20 0.39
PIK3R1 P27986 3/20 0.38
PIK3CA P42336 3/20 0.38
POLB P06746 1/20 0.38
PTPN11 Q06124 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6235016 0.85 GPR119 (0.42) ACHEPIK3R1PIK3CAPTPN11DDB1
SCHEMBL6240664 0.81 ALOX5 (0.49) MAPK1ACHEDDB1CRBNKMT2A
SCHEMBL1409174 0.80 GPR119 (0.49) ACHEPIK3CAPOLBPTPN11KMT2A
SCHEMBL15879042 0.80 MEN1 (0.50) ACHEPIK3CAPOLBPTPN11KMT2A
SCHEMBL14387482 0.80 MEN1 (0.50) ACHEPIK3CAPOLBPTPN11KMT2A
SCHEMBL12455887 0.76 GPR119 (0.45) ACHEPIK3CAPOLBPTPN11KMT2A
SCHEMBL12390133 0.74 KMT2A (0.46) MAPK1ACHEKMT2AMEN1MAPT
SCHEMBL909718 0.74 USP2 (0.56) PIK3R1PIK3CAKMT2AMEN1SMN1; SMN2
SCHEMBL10297496 0.74 GPR119 (0.55) ACHEPIK3CAPTPN11KMT2AMEN1
SCHEMBL23175116 0.73 MEN1 (0.47) ACHEPIK3CAPOLBPTPN11DDB1

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
WO-2005011703-A1 2-CYANO-1,3,5-TRIAZINE-4,6-DIAMINE DERIVATIVES AKZO NOBEL N.V. (NL) 2005-02-10 WO disclosed