SCHEMBL22135359

SCHEMBL22135359

CCCn1c(NC(=O)c2ccnn2CC)nc2cc(C(N)=O)ccc21

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 15/20 0.75
▸ TBK1 Q9UHD2 1/20 0.66
▸ HTT P42858 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ MAP3K7 O43318 1/20 0.58
▸ KDM4E B2RXH2 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL22135356 0.90 STING1 (0.68) STING1TBK1HTTMAP3K7KDM4E
SCHEMBL19437599 0.85 STING1 (1.00) STING1TBK1MAP3K7
SCHEMBL21648071 0.85 STING1 (0.82) STING1TBK1MAP3K7KMT2A
SCHEMBL23346495 0.85 STING1 (0.82) STING1TBK1
SCHEMBL22135257 0.82 STING1 (0.91) STING1TBK1HTTMAP3K7KDM4E
SCHEMBL19437563 0.82 STING1 (0.75) STING1
SCHEMBL22135964 0.81 STING1 (0.62) STING1TBK1HTTMAP3K7KDM4E
SCHEMBL19451762 0.81 STING1 (0.93) STING1TBK1
SCHEMBL29702073 0.81 STING1 (0.93) STING1TBK1
SCHEMBL22118178 0.81 STING1 (0.66) STING1TBK1HTTMAP3K7KDM4E

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