SCHEMBL7546015

SCHEMBL7546015

CCN1CCN(c2ccc3c(c2)ncn3-c2ccnc(NC(C)C3CN(C(=O)OC(C)(C)C)CCN3C(=O)OCc3ccccc3)n2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.61
IDH1 O75874 1/20 0.44

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
SCHEMBL7543436 0.88 LCK (0.80) LCK
SCHEMBL7596936 0.88 LCK (0.69) LCK
SCHEMBL7543704 0.88 LCK (0.69) LCK
SCHEMBL7867885 0.88 LCK (0.69) LCK
SCHEMBL7596940 0.88 LCK (0.69) LCK
SCHEMBL7873240 0.86 LCK (0.58) LCKIDH1
SCHEMBL7589785 0.86 LCK (0.58) LCKIDH1
SCHEMBL7541398 0.81 LCK (0.55) LCKIDH1
SCHEMBL7873023 0.80 LCK (0.49) LCKIDH1
SCHEMBL7873020 0.80 LCK (0.49) LCKIDH1

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 4 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 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