SCHEMBL22136258

SCHEMBL22136258

CCc1nc(C)oc1C(O)Nc1nc2cc(C(N)=O)ccc2n1CCCCn1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 16/20 0.46
TBK1 Q9UHD2 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
MAP3K7 O43318 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL22136291 0.85 STING1 (0.55) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22136264 0.80 STING1 (0.60) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22135959 0.79 MAP3K7 (0.46) STING1TBK1MAP3K7KMT2A
SCHEMBL22136293 0.74 CXCR4 (0.53) STING1JAK2JAK1TYK2JAK3
SCHEMBL22135277 0.73 STING1 (0.55) STING1TBK1KMT2A
SCHEMBL22135276 0.73 STING1 (0.81) STING1TBK1
SCHEMBL22136253 0.71 STING1 (0.50) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22135898 0.71 STING1 (0.54) STING1
SCHEMBL22135915 0.69 STING1 (0.62) STING1TBK1MAP3K7KMT2A
SCHEMBL22134963 0.67 HPGD (0.62) KMT2A

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