SCHEMBL7587262

SCHEMBL7587262

CC(Nc1nccc(-n2cnc3cc(NCC4CCN(Cc5ccccc5)C4)ccc32)n1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.58
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50

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
SCHEMBL7018113 1.00 LCK (0.58) LCKJAK2JAK3
SCHEMBL7021368 0.86 LCK (0.64) LCKJAK2JAK3
SCHEMBL7552175 0.86 LCK (0.64) LCKJAK2JAK3
SCHEMBL7021601 0.86 LCK (0.57) LCKJAK2JAK3
SCHEMBL7018881 0.84 LCK (0.60) LCKJAK2JAK3
SCHEMBL7017436 0.83 LCK (0.71) LCKJAK2JAK3
SCHEMBL7594389 0.83 LCK (0.71) LCKJAK2JAK3
SCHEMBL7019734 0.83 LCK (0.71) LCK
SCHEMBL7018822 0.82 LCK (0.59) LCKJAK2JAK3
SCHEMBL7594005 0.82 LCK (0.59) LCKJAK2JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed