SCHEMBL22289331

SCHEMBL22289331

NNC(=O)NCc1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.71
FES P07332 1/20 0.68
RET P07949 1/20 0.68
MARK3 P27448 1/20 0.68
TYK2 P29597 1/20 0.68
FLT4 P35916 1/20 0.68
SYK P43405 1/20 0.68
CLK2 P49760 1/20 0.68
CLK4 Q9HAZ1 1/20 0.68
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
MAPT P10636 1/20 0.60
POLB P06746 1/20 0.59

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
SCHEMBL9130703 0.90 FES (0.81) RECQLFESRETMARK3TYK2
SCHEMBL29460250 0.90 FES (0.81) RECQLFESRETMARK3TYK2
SCHEMBL29684017 0.85 NAMPT (0.76) RECQLFESRETMARK3TYK2
SCHEMBL30559826 0.84 RECQL (0.77) RECQLFESRETMARK3TYK2
SCHEMBL255574 0.83 FES (0.68) RECQLFESRETMARK3TYK2
SCHEMBL29550751 0.83 RECQL (1.00) RECQLFESRETMARK3TYK2
SCHEMBL163993 0.83 RECQL (1.00) RECQLFESRETMARK3TYK2
SCHEMBL14323610 0.82 FLT4 (0.97) RECQLFESRETMARK3TYK2
SCHEMBL18327711 0.82 FES (0.91) RECQLFESRETMARK3TYK2
SCHEMBL10403403 0.81 RECQL (0.72) RECQLFESRETMARK3TYK2

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
CN-113348017-A Hydrazide compound and kinase inhibitor 日产化学株式会社 2021-09-03 CN disclosed
WO-2020158841-A1 HYDRAZIDE COMPOUND AND KINASE INHIBITOR 日産化学株式会社 2020-08-06 WO disclosed