SCHEMBL22119447

SCHEMBL22119447

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCN

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.91
TBK1 Q9UHD2 1/20 0.91

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
Hydrochloric Acid SCHEMBL29868110 0.99 STING1 (0.90) STING1TBK1
Hydrochloric Acid SCHEMBL29868113 0.99 STING1 (0.90) STING1TBK1
SCHEMBL19436561 0.97 STING1 (0.93) STING1TBK1
SCHEMBL19451739 0.95 STING1 (1.00) STING1TBK1
SCHEMBL29526123 0.95 STING1 (1.00) STING1TBK1
SCHEMBL29867876 0.94 STING1 (0.93) STING1TBK1
SCHEMBL29702073 0.93 STING1 (0.93) STING1TBK1
SCHEMBL19451762 0.93 STING1 (0.93) STING1TBK1
SCHEMBL24467570 0.92 STING1 (0.93) STING1TBK1
SCHEMBL19451576 0.92 STING1 (0.93) STING1TBK1

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