SCHEMBL17017643

SCHEMBL17017643

Ic1ccc(OCc2ccnc(Nc3cnccn3)c2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.41
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
SRC P12931 4/20 0.34
GSK3A P49840 2/20 0.34
SYK P43405 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
HCK P08631 5/20 0.34
MAPK12 P53778 5/20 0.34
MAPK14 Q16539 5/20 0.34
LYN P07948 1/20 0.34
BTK Q06187 1/20 0.34
PTK6 Q13882 1/20 0.33
KDR P35968 2/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL17008501 0.86 LRRK2 (0.41) LRRK2MEN1ALDH1A1HPGDKMT2A
SCHEMBL18567054 0.86 LRRK2 (0.41) LRRK2MEN1ALDH1A1HPGDKMT2A
SCHEMBL31086658 0.86 LRRK2 (0.41) LRRK2MEN1ALDH1A1HPGDKMT2A
SCHEMBL17017528 0.85 HCK (0.35) LRRK2MEN1KMT2ASRCHCK
SCHEMBL28588449 0.83 LRRK2 (0.45) LRRK2MEN1KMT2AJAK2JAK1
SCHEMBL17017125 0.83 PIK3C3 (0.37) MEN1KMT2ASRCHCKMAPK12
SCHEMBL17017907 0.82 MRGPRX4 (0.40) LRRK2MEN1KMT2ASRCHCK
SCHEMBL17008491 0.82 LMNA (0.40) LRRK2MEN1ALDH1A1KMT2ASRC
SCHEMBL31086600 0.82 LMNA (0.40) LRRK2MEN1ALDH1A1KMT2ASRC
SCHEMBL17008500 0.81 LRRK2 (0.46) LRRK2JAK2JAK1TYK2SRC

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
WO-2015121660-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-08-20 WO disclosed