SCHEMBL22337158

SCHEMBL22337158

Cn1ncc2cc(I)nnc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.32
NOTUM Q6P988 1/20 0.32
PDE2A O00408 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22336157 0.78 APP (0.33) APPNOTUMPDE2API4KAPI4K2B
SCHEMBL29268144 0.76 PDE2A (0.39) APPNOTUMPDE2API4KAPI4K2B
SCHEMBL30567613 0.72 KCNJ1 (0.33) APPNOTUMALDH1A1
SCHEMBL22337069 0.72 CYP11B2 (0.33) APPNOTUM
SCHEMBL29989310 0.72 APP (0.33) APPNOTUM
Hydrochloric Acid SCHEMBL29268018 0.69 IRAK4 (0.31) PI4KAPI4K2BPI4K2API4KB
SCHEMBL22323133 0.67 PDE1C (0.40) KMT2AALDH1A1
SCHEMBL22336937 0.65 PI4KA (0.37) PDE2API4KAPI4K2BPI4K2API4KB
SCHEMBL7920028 0.65 CCR1 (0.43) APPPDE2API4KAPI4K2BPI4K2A
SCHEMBL24597613 0.64 ALDH1A1 (0.33) APPPDE2API4KAPI4K2BPI4K2A

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-2020161209-A1 HERBICIDAL FUSED PYRIDAZINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed