SCHEMBL7594096

SCHEMBL7594096

C[C@H](Nc1nccc(-n2cnc3cc(N4CC5CCCN5C4=O)ccc32)n1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.69
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52

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
SCHEMBL7591342 0.95 LCK (0.69) LCKJAK2JAK3
SCHEMBL7021396 0.84 LCK (0.80) LCKJAK2JAK3
SCHEMBL7587010 0.83 LCK (0.61) LCKJAK2JAK3
SCHEMBL7016363 0.82 LCK (0.74) LCKJAK2JAK3
SCHEMBL7021615 0.82 LCK (1.00) LCKJAK2JAK3
SCHEMBL7105662 0.81 LCK (0.88) LCKJAK2JAK3
SCHEMBL7016429 0.81 LCK (0.85) LCKJAK2JAK3
SCHEMBL7017426 0.80 LCK (0.71) LCKJAK2JAK3
SCHEMBL7022428 0.78 LCK (0.78) LCKJAK2JAK3
SCHEMBL7585633 0.77 LCK (1.00) 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