SCHEMBL22151674

SCHEMBL22151674

NC(=O)c1ccc2c(c1)nc(N)n2C[C@H]1CC[C@H](n2c(N)nc3cc(C(N)=O)ccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.47
▸ JAK1 P23458 13/20 0.47
▸ TYK2 P29597 13/20 0.47
▸ JAK3 P52333 13/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ PTGER4 P35408 5/20 0.45
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL22121292 0.78 JAK2 (0.45) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22121213 0.77 RORC (0.53) KMT2A
SCHEMBL19436566 0.74 JAK2 (0.62) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL19436506 0.74 JAK2 (0.62) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL19437503 0.74 KMT2A (0.74) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL28063914 0.74 JAK2 (0.46) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22121416 0.73 KMT2A (0.57) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22121609 0.73 JAK2 (0.51) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22150565 0.73 CHEK2 (0.48) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL21311021 0.73 RPS6KB1 (0.57) JAK2JAK1TYK2JAK3PTGER4

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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