SCHEMBL22136293

SCHEMBL22136293

NC(=O)c1ccc2c(c1)nc(N)n2CCCCn1cnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.53
JAK2 O60674 8/20 0.52
JAK1 P23458 8/20 0.52
TYK2 P29597 8/20 0.52
JAK3 P52333 8/20 0.52
TLR8 Q9NR97 3/20 0.48
STING1 Q86WV6 1/20 0.47
NOD1 Q9Y239 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.46
KMT2A Q03164 1/20 0.46
FGFR1 P11362 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL19436506 0.86 JAK2 (0.62) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL22135368 0.86 ADORA2A (0.51) JAK2JAK1TYK2JAK3TLR8
SCHEMBL19436566 0.83 JAK2 (0.62) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL22136264 0.77 STING1 (0.60) STING1KMT2A
SCHEMBL19436514 0.77 KDM4E (0.56) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL22134963 0.77 HPGD (0.62) TLR8KMT2AFGFR1
Bromide SCHEMBL23227960 0.76 KDM4E (0.55) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL19437484 0.76 JAK2 (0.56) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL19436490 0.76 JAK2 (0.55) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL19436504 0.76 JAK2 (0.55) JAK2JAK1TYK2JAK3TLR8

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