SCHEMBL18925609

SCHEMBL18925609

CNC1COCCC1N(C)c1nc(Nc2cncc(F)c2)c(C(N)=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 7/20 0.47
▸ JAK2 O60674 6/20 0.47
▸ SYK P43405 12/20 0.39
▸ KCNH2 Q12809 5/20 0.39
▸ AURKB Q96GD4 4/20 0.39
▸ JAK3 P52333 5/20 0.37
▸ MAPK3 P27361 4/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ LCK P06239 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ ZAP70 P43403 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ TYK2 P29597 3/20 0.36
▸ BTK Q06187 2/20 0.33

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
SCHEMBL18925663 0.88 SYK (0.49) JAK1JAK2SYKKCNH2AURKB
SCHEMBL18926182 0.83 JAK1 (0.50) JAK1JAK2SYKKCNH2AURKB
SCHEMBL18926174 0.82 SYK (0.49) JAK1JAK2SYKKCNH2AURKB
SCHEMBL18925830 0.78 SYK (0.56) SYKKCNH2AURKBMAPK3MAPK1
SCHEMBL18925816 0.78 SYK (0.40) JAK1JAK2SYKKCNH2AURKB
SCHEMBL18926191 0.78 JAK2 (0.49) JAK1JAK2SYKKCNH2AURKB
SCHEMBL18925881 0.78 SYK (0.46) JAK1JAK2SYKKCNH2AURKB
SCHEMBL18925676 0.77 SYK (0.44) JAK1JAK2SYKKCNH2AURKB
SCHEMBL18926150 0.77 SYK (0.47) JAK1JAK2SYKKCNH2AURKB
SCHEMBL20750735 0.76 FER (0.44) JAK1JAK2SYKKCNH2AURKB

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
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 — — EP disclosed
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