SCHEMBL9879014

SCHEMBL9879014

Cc1ccccc1Nc1nc(=O)c(C)c(C)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
PDE9A O76083 2/20 0.48
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
C1R P00736 1/20 0.43
PABPC1 P11940 1/20 0.43
LCK P06239 1/20 0.43
ERBB2 P04626 1/20 0.40
METAP2 P50579 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9879255 0.82 MEN1 (0.55) KMT2AMEN1PDE9AMAPTHPGD
SCHEMBL9878159 0.80 MEN1 (0.52) KMT2AMEN1PDE9AMAPTHPGD
SCHEMBL9776657 0.79 MEN1 (0.57) KMT2AMEN1PDE9AMAPTHPGD
SCHEMBL9879015 0.78 KMT2A (0.60) KMT2AMEN1PDE9AMAPTHPGD
SCHEMBL9878442 0.76 MEN1 (0.53) KMT2AMEN1PDE9AMAPTHPGD
SCHEMBL9879486 0.75 KMT2A (1.00) KMT2AMEN1PDE9AMAPTKDM4E
SCHEMBL9879379 0.75 MEN1 (0.64) KMT2AMEN1PDE9AMAPTHPGD
SCHEMBL9879389 0.75 ALDH1A1 (0.52) KMT2AMEN1PDE9AMAPTALDH1A1
SCHEMBL9879427 0.74 MEN1 (0.51) KMT2AMEN1PDE9AMAPTHPGD
SCHEMBL9879390 0.73 MEN1 (0.61) KMT2AMEN1PDE9AMAPTHPGD

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-1991018887-A1 DIAMINOPYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1991-12-12 WO disclosed