SCHEMBL22136236

SCHEMBL22136236

CCCn1c(CNC(=O)CC)nc2cc(C(N)=O)ccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
JAK2 O60674 4/20 0.56
JAK1 P23458 4/20 0.56
TYK2 P29597 4/20 0.56
JAK3 P52333 4/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.51
STING1 Q86WV6 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL22135974 0.84 STING1 (0.52) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22136152 0.81 STING1 (0.65) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL19437515 0.78 KMT2A (0.63) POLBJAK2JAK1TYK2JAK3
SCHEMBL22118178 0.75 STING1 (0.66) POLBJAK2JAK1TYK2JAK3
SCHEMBL22136297 0.74 STING1 (0.59) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22135904 0.74 STING1 (0.62) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL5598387 0.74 KMT2A (0.72) POLBJAK2JAK1TYK2JAK3
SCHEMBL22136149 0.74 STING1 (0.64) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22135906 0.73 STING1 (0.61) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22135975 0.73 STING1 (0.61) JAK2JAK1TYK2JAK3KMT2A

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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed