SCHEMBL31086563

SCHEMBL31086563

NC(=O)OCc1cnc(Nc2cc(COc3ccc(N)c4ccccc34)ccn2)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCK P08631 9/20 0.35
MAPK12 P53778 9/20 0.35
MAPK14 Q16539 9/20 0.35
SRC P12931 2/20 0.35
NR3C2 P08235 4/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
TYK2 P29597 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
F2 P00734 1/20 0.32
LRRK2 Q5S007 1/20 0.32
LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL28577141 1.00 HCK (0.35) HCKMAPK12MAPK14SRCNR3C2
SCHEMBL31086673 0.88 IKBKE (0.40) HCKMAPK12MAPK14SRCMRGPRX4
SCHEMBL17008526 0.88 IKBKE (0.40) HCKMAPK12MAPK14SRCMRGPRX4
SCHEMBL28579283 0.87 LMNA (0.39) HCKMAPK12MAPK14SRCMRGPRX4
SCHEMBL17008508 0.86 HCK (0.36) HCKMAPK12MAPK14SRCNR3C2
SCHEMBL17017129 0.85 MRGPRX4 (0.40) HCKMAPK12MAPK14SRCNR3C2
Hydrochloric Acid SCHEMBL17008549 0.84 MRGPRX4 (0.40) HCKMAPK12MAPK14SRCNR3C2
SCHEMBL17008477 0.83 MRGPRX4 (0.39) HCKMAPK12MAPK14SRCNR3C2
SCHEMBL18546352 0.83 HCK (0.37) HCKMAPK12MAPK14SRCNR3C2
SCHEMBL18567057 0.82 HDAC1 (0.39) HCKMAPK12MAPK14SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264921-B Pyrazolyl-ureas as kinase inhibitors 瑞斯比维特有限公司 2024-09-13 CN disclosed