SCHEMBL7508317

SCHEMBL7508317

Cc1ccccc1-c1cc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)nc(NCCC2CCCN(C(=O)Nc3ccccc3)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.47
RAF1 P04049 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.35
BRAF P15056 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL7507496 0.92 LCK (0.46) LCKRAF1LOXL2
SCHEMBL7506537 0.90 LCK (0.54) LCKLOXL2
SCHEMBL7983284 0.87 LCK (0.61) LCK
SCHEMBL7544073 0.82 LCK (0.68) LCK
SCHEMBL7506997 0.81 LCK (0.59) LCK
SCHEMBL7514593 0.81 LCK (0.54) LCKLOXL2
SCHEMBL7502279 0.79 LCK (0.57) LCKLOXL2
SCHEMBL7513490 0.79 LCK (0.53) LCK
SCHEMBL7505858 0.79 LCK (0.55) LCK
SCHEMBL7500919 0.78 LCK (0.54) LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 EP claimed
EP-1206260-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP claimed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO claimed
EP-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 EP disclosed
EP-1206260-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed