SCHEMBL8405032

SCHEMBL8405032

O=c1nc2c(c[nH]1)[nH]c(=O)n2Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
JAK2 O60674 3/20 0.42
JAK3 P52333 3/20 0.42
USP2 O75604 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
EPHX2 P34913 1/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL8407924 0.82 HPGD (0.54) KMT2AALDH1A1MEN1KDM4ETSHR
SCHEMBL8407994 0.75 ADORA3 (0.47) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL8405232 0.73 ADORA2A (0.46) KMT2AMEN1MAPTPOLBNFKB1
SCHEMBL12371703 0.71 JAK2 (0.44) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL13732376 0.71 GAA (0.46) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL12371755 0.69 ADORA2A (0.46) KMT2AALDH1A1MEN1JAK2JAK3
SCHEMBL12371770 0.69 JAK2 (0.43) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL8404996 0.69 PDE4A (0.51) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL12371744 0.68 JAK2 (0.42) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL12371796 0.68 JAK2 (0.42) KMT2AALDH1A1MEN1KDM4EMAPT

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-0673938-B1 Purine derivatives and pharmaceutically acceptable salts thereof NIPPON ZOKI PHARMACEUTICAL CO (JP) 1999-07-07 EP disclosed
US-5658918-A INHIBITING NASAL MUCOUS SECRETION NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
EP-0673938-A2 Novel purine derivatives and pharmaceutically acceptable salts thereof NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1995-09-27 EP disclosed