SCHEMBL22119397

SCHEMBL22119397

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c2n1CCCNC(=O)N(C)Cc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.83

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
SCHEMBL22119542 0.91 STING1 (0.85) STING1
SCHEMBL22135012 0.91 STING1 (1.00) STING1
SCHEMBL22135181 0.88 STING1 (0.80) STING1
SCHEMBL22135380 0.86 STING1 (0.82) STING1
SCHEMBL21789961 0.86 STING1 (0.86) STING1
SCHEMBL21789976 0.86 STING1 (0.84) STING1
SCHEMBL22135280 0.84 STING1 (0.89) STING1
SCHEMBL22135231 0.84 STING1 (0.89) STING1
SCHEMBL19451494 0.83 STING1 (0.95) STING1
SCHEMBL30106303 0.83 STING1 (0.77) STING1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed
WO-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed