SCHEMBL22121609

SCHEMBL22121609

NC(=O)c1ccc2c(c1)nc(N)n2CCC1CC1CCn1c(N)nc2cc(C(N)=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.51
▸ JAK1 P23458 19/20 0.51
▸ TYK2 P29597 19/20 0.51
▸ JAK3 P52333 19/20 0.51
▸ KMT2A Q03164 1/20 0.51

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 0.84 JAK2 (0.62) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL19436506 0.84 JAK2 (0.62) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL6023576 0.82 KMT2A (0.56) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL19437515 0.82 KMT2A (0.63) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22121361 0.81 KMT2A (0.54) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL19437503 0.79 KMT2A (0.74) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL19451670 0.79 KMT2A (0.55) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL19436552 0.78 PTGER4 (0.56) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL22121416 0.78 KMT2A (0.57) JAK2JAK1TYK2JAK3KMT2A
Bromide SCHEMBL28608182 0.77 PTGER4 (0.55) JAK2JAK1TYK2JAK3KMT2A

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