SCHEMBL7538940

SCHEMBL7538940

CC(Nc1nc(-c2ccccc2CO)cc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)n1)C1CN(C(=O)Nc2ccccc2)CCN1C

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.67

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
SCHEMBL7544073 0.92 LCK (0.68) LCK
SCHEMBL7499522 0.92 LCK (0.81) LCK
SCHEMBL7506997 0.91 LCK (0.59) LCK
SCHEMBL7542684 0.88 LCK (0.82) LCK
SCHEMBL7493817 0.85 LCK (0.82) LCK
SCHEMBL7983284 0.83 LCK (0.61) LCK
SCHEMBL7507496 0.82 LCK (0.46) LCK
SCHEMBL7867882 0.81 LCK (1.00) LCK
SCHEMBL7543040 0.81 LCK (1.00) LCK
SCHEMBL7568847 0.80 LCK (0.71) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP claimed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP claimed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US claimed
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO claimed
EP-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP disclosed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed