SCHEMBL3720458

SCHEMBL3720458

CC(=O)Nc1cnnc2ncncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPK10 P53779 1/20 0.32
PTK2 Q05397 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
OGA O60502 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CHUK O15111 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL30420965 0.69 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1KDM4EHSP90AA1
SCHEMBL9431109 0.69 PIK3CG (0.33)
SCHEMBL16452808 0.68 PTK2 (0.43) MEN1KMT2AL3MBTL1KDM4EPTK2
SCHEMBL13833264 0.68 CYP1A2 (0.38) MEN1KMT2AL3MBTL1KDM4EHSP90AA1
SCHEMBL3719115 0.67 KDM4E (0.33) KDM4EALDH1A1CYP1A2MAPT
SCHEMBL30421445 0.66 ATR (0.40) MEN1KMT2AL3MBTL1ALDH1A1OGA
SCHEMBL3720461 0.66 L3MBTL1 (0.47) L3MBTL1KDM4EHSP90AA1HSP90AB1PTK2
SCHEMBL23178631 0.65
SCHEMBL3721023 0.64 DPP4 (0.43) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL16639396 0.64 L3MBTL1 (0.37) MEN1KMT2AL3MBTL1EGFRKDM4E

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-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 WO disclosed