SCHEMBL19980130

SCHEMBL19980130

COc1ncn(-c2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PDE4B Q07343 5/20 0.35
PDE4A P27815 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
GAA P10253 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
LMNA P02545 1/20 0.33
SCN10A Q9Y5Y9 5/20 0.33
NR3C1 P04150 1/20 0.33
KCNT1 Q5JUK3 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL19979874 0.88 POLB (0.43) POLBGAALMNASCN10A
SCHEMBL19979901 0.88 POLB (0.43) POLBGAALMNASCN10A
SCHEMBL19979900 0.87 POLB (0.43) POLBGAALMNASCN10ANR3C1
SCHEMBL19980201 0.87 POLB (0.45) POLBGAALMNASCN10ASTING1
SCHEMBL19980129 0.87 POLB (0.47) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL19980177 0.85 POLB (0.41) POLBGAALMNASCN10ASTING1
SCHEMBL19979899 0.84 POLB (0.41) POLBGAALMNASCN10A
SCHEMBL19980110 0.81 POLB (0.44) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL19980213 0.81 POLB (0.44) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL19979902 0.81 POLB (0.46) POLBGAALMNASCN10A

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-2018050677-A1 HERBICIDAL PYRIDINES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed