SCHEMBL7018086

SCHEMBL7018086

C[C@H](Nc1nccc(-n2c(N)nc3ccccc32)n1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.65
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
IDH1 O75874 9/20 0.49

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
SCHEMBL7014700 0.87 LCK (0.66) LCKJAK2JAK3IDH1
SCHEMBL7020339 0.79 LCK (1.00) LCKJAK2JAK3
SCHEMBL7022505 0.79 LCK (1.00) LCKJAK2JAK3
SCHEMBL17076677 0.74 MAPK14 (0.56) LCKJAK2JAK3IDH1
SCHEMBL17076676 0.74 MAPK14 (0.56) LCKJAK2JAK3IDH1
SCHEMBL7016983 0.74 LCK (0.87) LCKJAK2JAK3IDH1
SCHEMBL7585633 0.73 LCK (1.00) LCKJAK2JAK3IDH1
SCHEMBL7017830 0.73 LCK (1.00) LCKJAK2JAK3IDH1
SCHEMBL7015903 0.73 LCK (1.00) LCKJAK2JAK3IDH1
SCHEMBL7017465 0.73 LCK (0.89) LCKJAK2JAK3IDH1

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-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed