SCHEMBL22150565

SCHEMBL22150565

CC(C)(C)OC(=O)N1CC[C@H](Cn2c(N)nc3cc(C(N)=O)ccc32)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 5/20 0.48
▸ RORC P51449 2/20 0.48
▸ GPR119 Q8TDV5 3/20 0.45
▸ CNR2 P34972 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ JAK2 O60674 3/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ TYK2 P29597 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ FEN1 P39748 1/20 0.41

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
SCHEMBL22121213 0.94 RORC (0.53) CHEK2RORCGPR119CNR2KMT2A
SCHEMBL22150047 0.91 CHEK2 (0.48) CHEK2RORCGPR119KMT2AJAK2
SCHEMBL22121278 0.88 CHEK2 (0.52) CHEK2RORCGPR119KMT2AJAK2
SCHEMBL21496906 0.86 P2RX3 (0.48) CHEK2RORCKMT2AFEN1
SCHEMBL22121292 0.85 JAK2 (0.45) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22135104 0.79 STING1 (0.64) —
SCHEMBL15576092 0.79 BRD4 (0.47) JAK3BRD4
SCHEMBL21310756 0.75 PDE4B (0.49) CNR2
SCHEMBL22150548 0.73 IDO1 (0.52) CHEK2GPR119JAK2JAK3BRD4
SCHEMBL22151674 0.73 JAK2 (0.47) KMT2AJAK2JAK1TYK2JAK3

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
Send feedback