SCHEMBL18925541

SCHEMBL18925541

CN[C@@H]1[C@H](Nc2ccc(C(N)=O)c(Nc3cncc(F)c3)n2)CCCC1(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 14/20 0.49
▸ FER P16591 2/20 0.49
▸ JAK2 O60674 4/20 0.45
▸ ROCK2 O75116 2/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ HCK P08631 2/20 0.45
▸ ROS1 P08922 2/20 0.45
▸ PIM1 P11309 2/20 0.45
▸ PRKACA P17612 2/20 0.45
▸ MARK3 P27448 2/20 0.45
▸ LTK P29376 2/20 0.45
▸ CSNK1A1 P48729 2/20 0.45
▸ CLK2 P49760 2/20 0.45
▸ MAPK10 P53779 2/20 0.45
▸ MAP2K1 Q02750 2/20 0.45
▸ MAP3K10 Q02779 2/20 0.45
▸ PRKCQ Q04759 2/20 0.45
▸ PTK2 Q05397 2/20 0.45
▸ TYRO3 Q06418 2/20 0.45
▸ STK3 Q13188 2/20 0.45

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
SCHEMBL9103616 0.89 SYK (0.54) SYKFERJAK2ROCK2MAP4K4
SCHEMBL18925346 0.87 SYK (0.52) SYKFERJAK2ROCK2MAP4K4
SCHEMBL18925312 0.87 SYK (0.45) SYKFERJAK2KCNH2MAPK1
SCHEMBL20750881 0.84 SYK (0.45) SYKFERJAK2KCNH2MAPK1
SCHEMBL18925658 0.84 SYK (0.45) SYKFERJAK2KCNH2MAPK1
SCHEMBL5027894 0.82 SYK (0.66) SYKFERJAK2ROCK2MAP4K4
SCHEMBL18925598 0.80 SYK (0.53) SYKFERJAK2ROCK2MAP4K4
SCHEMBL18925517 0.80 SYK (0.55) SYKFERJAK2ROCK2MAP4K4
SCHEMBL20750834 0.80 SYK (0.49) SYKFERJAK2KCNH2MAPK1
SCHEMBL18926191 0.80 JAK2 (0.49) SYKFERJAK2ROCK2MAP4K4

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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