SCHEMBL22121361

SCHEMBL22121361

NC(=O)c1ccc2c(c1)nc(N)n2CC/C=C/CCn1c(N)nc2cc(C(N)=O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.54
▸ JAK2 O60674 19/20 0.54
▸ JAK1 P23458 19/20 0.54
▸ TYK2 P29597 19/20 0.54
▸ JAK3 P52333 19/20 0.54

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
SCHEMBL19436566 0.87 JAK2 (0.62) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19436506 0.87 JAK2 (0.62) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22121416 0.86 KMT2A (0.57) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19437515 0.85 KMT2A (0.63) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL6023576 0.85 KMT2A (0.56) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19437503 0.82 KMT2A (0.74) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19451670 0.82 KMT2A (0.55) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19436552 0.81 PTGER4 (0.56) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22121609 0.81 JAK2 (0.51) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19437496 0.80 JAK2 (0.52) KMT2AJAK2JAK1TYK2JAK3

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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