SCHEMBL22136140

SCHEMBL22136140

CCCn1c(NC(=O)c2snc(Cl)c2Cl)nc2cc(C(N)=O)cc(CN3CCOCC3)c21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 17/20 0.50
▸ MAP3K7 O43318 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL22135905 0.83 STING1 (0.54) STING1MAP3K7
SCHEMBL22136263 0.82 STING1 (0.52) STING1MAP3K7
SCHEMBL22135916 0.81 STING1 (0.54) STING1MAP3K7
SCHEMBL22135195 0.80 STING1 (0.71) STING1
SCHEMBL22135897 0.80 STING1 (0.55) STING1MAP3K7
SCHEMBL22135920 0.80 STING1 (0.55) STING1MAP3K7
SCHEMBL22136127 0.80 STING1 (0.53) STING1MAP3K7
SCHEMBL22135899 0.80 STING1 (0.53) STING1
SCHEMBL22136248 0.79 STING1 (0.49) STING1MAP3K7KDM4E
SCHEMBL22136257 0.79 STING1 (0.56) STING1MAP3K7

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
Send feedback