SCHEMBL5027350

SCHEMBL5027350

NCC1[C@H](Nc2ccc(C(N)=O)c(Nc3cccc(-n4cccn4)c3)n2)CCCC1(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 18/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ JAK2 O60674 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ HCK P08631 1/20 0.48
▸ ROS1 P08922 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ MARK3 P27448 1/20 0.48
▸ LTK P29376 1/20 0.48
▸ CSNK1A1 P48729 1/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.48
▸ MAP3K10 Q02779 1/20 0.48
▸ PRKCQ Q04759 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ TYRO3 Q06418 1/20 0.48

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
SCHEMBL2714865 0.90 SYK (0.61) SYKKCNH2JAK2FLT3ROCK2
SCHEMBL18926035 0.88 SYK (0.56) SYKKCNH2JAK2FLT3ROCK2
SCHEMBL2717181 0.83 SYK (0.79) SYKKCNH2JAK2FLT3ROCK2
SCHEMBL18925464 0.83 SYK (0.66) SYKKCNH2JAK2FLT3ROCK2
SCHEMBL5027691 0.82 SYK (0.66) SYKKCNH2JAK2FLT3ROCK2
SCHEMBL5028025 0.80 SYK (0.76) SYKKCNH2JAK2FLT3ROCK2
SCHEMBL2715579 0.79 SYK (0.58) SYKKCNH2JAK2FLT3LCK
SCHEMBL2727887 0.78 SYK (0.78) SYKKCNH2JAK2FLT3ROCK2
SCHEMBL20750871 0.77 SYK (0.54) SYKKCNH2JAK2FLT3FER
SCHEMBL20750820 0.77 SYK (0.54) SYKKCNH2JAK2FLT3FER

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-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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