SCHEMBL9366802

SCHEMBL9366802

CC(=O)Nc1nc(Cl)c2ncn(COCCOC(C)=O)c2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
TSHR P16473 2/20 0.63
ACHE P22303 4/20 0.46
HBB P68871 2/20 0.41
MAPK1 P28482 1/20 0.41
PNP P00491 3/20 0.38
USP2 O75604 1/20 0.38
EDNRA P25101 1/20 0.38
HTR2A P28223 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RX7 Q99572 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC4 P56524 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL11550890 0.88 MEN1 (0.64) MEN1KMT2ATSHRACHEHBB
SCHEMBL9575539 0.87 MEN1 (0.48) MEN1KMT2ATSHRACHEHBB
SCHEMBL10649180 0.87 MEN1 (0.63) MEN1KMT2ATSHRACHEHBB
SCHEMBL11244724 0.85 MEN1 (0.57) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL9366819 0.84 MEN1 (0.56) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL10405793 0.83 ACHE (0.44) MEN1KMT2ATSHRACHEBLM
SCHEMBL8896639 0.82 ACHE (0.44) MEN1KMT2ATSHRACHEHBB
SCHEMBL8713036 0.80 ACHE (0.47) MEN1KMT2ATSHRACHEP2RX7
SCHEMBL9371648 0.80 MEN1 (0.57) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL7448126 0.79 MEN1 (0.53) MEN1KMT2ATSHRHBBMAPK1

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-0289992-B1 Process for preparing purine derivates KEMIJSKI INST (SI) 1994-04-27 EP disclosed
EP-0564006-A2 Process for preparing purine derivatives and novel purine derivatives KRKA, tovarna zdravil, n.sol.o (YU) 1993-10-06 EP disclosed
EP-0289992-A2 Process for preparing purine derivates KEMIJSKI INSTITUT (SI) 1988-11-09 EP disclosed