SCHEMBL21722362

SCHEMBL21722362

NC(=O)c1nccnc1-c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
PARP1 P09874 1/20 0.46
CHEK2 O96017 2/20 0.46
MAP4K4 O95819 1/20 0.46
CDC7 O00311 1/20 0.45
KMO O15229 2/20 0.44
LRRK2 Q5S007 1/20 0.43
FYN P06241 2/20 0.42
LMNA P02545 1/20 0.42
TDO2 P48775 1/20 0.42
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL28049210 0.80 NR3C2 (0.40) CDC7LRRK2LMNAMAPK1MAPK9
SCHEMBL2991676 0.80 LMNA (0.57) HPGDSPARP1CHEK2MAP4K4CDC7
SCHEMBL3468178 0.80 ADORA2A (0.50) PARP1CDC7LMNACDK2KMT2A
SCHEMBL4763130 0.75 KMO (0.44) CHEK2CDC7KMOPLK4AURKA
SCHEMBL30668220 0.74 MKNK1 (0.54) CHEK2LMNAPIM1CYP1A2CYP3A4
SCHEMBL2228105 0.74 MKNK1 (0.54) CHEK2LMNAPIM1CYP1A2CYP3A4
SCHEMBL30665107 0.74 MKNK1 (0.54) CHEK2LMNAPIM1CYP1A2CYP3A4
SCHEMBL14152807 0.74 EGLN1 (0.62) HPGDSPARP1CHEK2MAP4K4LRRK2
SCHEMBL22551970 0.74 HPGDS (0.50) HPGDSPARP1CHEK2MAP4K4CDC7
SCHEMBL29907583 0.74 HPGDS (0.50) HPGDSPARP1CHEK2MAP4K4CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 EP disclosed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO disclosed