SCHEMBL18740147

SCHEMBL18740147

NC(=O)c1c[nH]n2ccnc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.34
MAP2K1 Q02750 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 5/20 0.33
PARP1 P09874 2/20 0.33
SYK P43405 2/20 0.33
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
ADRA1A P35348 1/20 0.32
CDC7 O00311 2/20 0.32
CSNK1A1 P48729 1/20 0.32
TYRO3 Q06418 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL15558806 1.00 DYRK1B (0.34) DYRK1BMAP2K1CLK4IRAK4PARP1
SCHEMBL31293979 0.84 KDM4E (0.41) KDM4EL3MBTL1
SCHEMBL2271909 0.71
SCHEMBL10635898 0.71
SCHEMBL31488319 0.66 METAP2 (0.37) PARP1KDM4E
SCHEMBL1420264 0.64 MKNK1 (0.47) DYRK1BMAP2K1CLK4IRAK4PARP1
SCHEMBL2380423 0.64 IRAK4 (0.51) DYRK1BMAP2K1CLK4IRAK4PARP1
SCHEMBL11339171 0.63 IRAK4 (0.41) DYRK1BMAP2K1CLK4IRAK4PARP1
Hydrochloric Acid SCHEMBL30521486 0.63 MKNK1 (0.46) DYRK1BMAP2K1CLK4IRAK4PARP1
SCHEMBL15266367 0.63 KDM5A (0.40) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883649-A1 IMIDAZO-PYRAZOLE CARBOXAMIDE DERIVATIVES AS ANTICANCER AGENTS AND THE SYNTHESIS THEREOF Avidin KFT (HU) 2021-09-29 EP claimed
EP-3883649-A1 IMIDAZO-PYRAZOLE CARBOXAMIDE DERIVATIVES AS ANTICANCER AGENTS AND THE SYNTHESIS THEREOF Avidin KFT (HU) 2021-09-29 EP disclosed
EP-3362454-A1 EP4 ANTAGONISTS Eisai R&D Management Co., Ltd. (JP) 2018-08-22 EP disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 WO disclosed