SCHEMBL28778626

SCHEMBL28778626

CCNC(=O)Nc1ccccc1-c1nc(N)nc(Nc2ccc3oc(=O)[nH]c3c2)c1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 17/20 0.41
▸ JAK3 P52333 17/20 0.41
▸ SYK P43405 2/20 0.41
▸ MAPKAPK2 P49137 2/20 0.41
▸ JAK2 O60674 9/20 0.40
▸ CYP3A4 P08684 6/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ TYK2 P29597 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
SCHEMBL28778620 0.82 JAK1 (0.42) JAK1JAK3SYKMAPKAPK2JAK2
SCHEMBL28778521 0.80 JAK1 (0.44) JAK1JAK3SYKMAPKAPK2JAK2
SCHEMBL28778514 0.80 JAK1 (0.52) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL28778614 0.79 JAK1 (0.45) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL29610715 0.79 JAK1 (0.48) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL28778616 0.78 JAK1 (0.42) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL28778734 0.78 JAK1 (0.42) JAK1JAK3SYKMAPKAPK2JAK2
SCHEMBL28778570 0.77 JAK1 (0.42) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL28778597 0.77 JAK1 (0.44) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL29373330 0.76 JAK1 (0.51) JAK1JAK3SYKJAK2CYP3A4

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
CN-114698370-A Compounds and methods for treating cytokine release syndrome 里格尔药品股份有限公司 2022-07-01 — — CN disclosed
Send feedback