SCHEMBL7813656

SCHEMBL7813656

CC(=O)Nc1nc2c(ncn2CCCCOC(C)=O)c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
TSHR P16473 1/20 0.74
KMT2A Q03164 1/20 0.74
TK1 P04183 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
Bromide SCHEMBL7816191 0.99 MEN1 (0.73) MEN1TSHRKMT2ATK1TAS1R3
SCHEMBL7819447 0.85 MEN1 (1.00) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL8172148 0.84 TK1 (0.69) TSHRTK1
SCHEMBL8190974 0.83 MEN1 (0.54) MEN1TSHRKMT2A
SCHEMBL2467673 0.79 MEN1 (0.71) MEN1TSHRKMT2ATK1TAS1R3
SCHEMBL5930447 0.79 MEN1 (0.60) MEN1TSHRKMT2ATK1TAS1R3
SCHEMBL28942682 0.79 TSHR (0.65) MEN1TSHRKMT2ATK1TAS1R3
SCHEMBL14421495 0.78 MEN1 (0.70) MEN1TSHRKMT2ATK1TAS1R3
SCHEMBL8444939 0.78 MEN1 (0.80) MEN1TSHRKMT2ATK1TAS1R3
SCHEMBL10481420 0.78 KMT2A (0.59) MEN1TSHRKMT2ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728757-B1 Process for producing purine derivatives AJINOMOTO KK (JP) 2001-10-04 EP disclosed
US-6245910-B1 Process for producing purine derivatives AJINOMOTO CO., INC. (JP) 2001-06-12 US disclosed
EP-0728757-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1996-08-28 EP disclosed