SCHEMBL22151398

SCHEMBL22151398

Cc1cc(C(N)O)cc2nc(N)n(C/C=C/Cn3c(N)nc4cc(C(N)=O)ccc43)c12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ JAK2 O60674 16/20 0.43
▸ JAK1 P23458 16/20 0.43
▸ TYK2 P29597 16/20 0.43
▸ JAK3 P52333 16/20 0.43
▸ PTGER4 P35408 1/20 0.39
▸ S1PR1 P21453 1/20 0.37
▸ STING1 Q86WV6 1/20 0.37

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
SCHEMBL22121411 0.89 KMT2A (0.52) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22151391 0.86 KMT2A (0.49) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22121416 0.82 KMT2A (0.57) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22151399 0.79 STING1 (0.46) KMT2ASTING1
SCHEMBL28602277 0.79 KMT2A (0.46) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL28602275 0.79 KMT2A (0.46) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22151677 0.77 STING1 (0.56) STING1
SCHEMBL22151665 0.76 KDM4E (0.55) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19436567 0.75 KMT2A (0.50) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19436528 0.75 KMT2A (0.50) 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
Send feedback