SCHEMBL4076644

SCHEMBL4076644

NC(=O)n1ncc2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.54
FGFR1 P11362 1/20 0.50
FGFR4 P22455 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ELANE P08246 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
FEN1 P39748 1/20 0.37
DAO P14920 1/20 0.37
MAP2K1 Q02750 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MTNR1A P48039 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3415322 0.84 KDM4E (0.53) PARP1FGFR1FGFR4KDM4EELANE
SCHEMBL31037735 0.84 KDM4E (0.53) PARP1FGFR1FGFR4KDM4EELANE
SCHEMBL14262719 0.83 FGFR1 (0.50) PARP1FGFR1FGFR4KDM4EELANE
SCHEMBL13663047 0.77 PARP1 (0.47) PARP1FGFR1FGFR4KDM4EKDM4D
SCHEMBL28419879 0.76 PARP1 (0.46) PARP1FGFR1FGFR4KDM4EKDM4D
SCHEMBL29640851 0.75 FGFR1 (0.44) PARP1FGFR1FGFR4KDM4EELANE
SCHEMBL8428527 0.75 FGFR1 (0.44) PARP1FGFR1FGFR4KDM4EELANE
SCHEMBL17981551 0.75 FGFR1 (0.50) PARP1FGFR1FGFR4KDM4EELANE
Indazole Carboxamide SCHEMBL42505 0.73 SLC22A12 (0.53) ELANESLC22A12DAOCLK4DYRK1B
SCHEMBL23227964 0.72 KDM4E (0.55) PARP1FGFR1FGFR4KDM4EKDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009196932-A PYRAZOLO[3,4-b]PYRIDINE AMIDE COMPOUND WITH HISTAMINE H4 RECEPTOR ANTAGONISTIC ACTION KOWA CO 2009-09-03 JP disclosed
EP-1056724-B1 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-05-25 EP disclosed
EP-0180318-B1 AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-11-06 EP disclosed
US-4745121-A AMINE OR CARBOXAMIDE SUBSTITUTED ICI AMERICAS INC. (US) 1988-05-17 US disclosed
US-4745121-A AMINE OR CARBOXAMIDE SUBSTITUTED ICI AMERICAS INC. (US) 1988-05-17 US disclosed
EP-0180318-A1 Amide derivatives ICI AMERICAS INC. (US) 1986-05-07 EP disclosed