SCHEMBL7496382

SCHEMBL7496382

CCN1CCN(c2ccc3c(c2)ncn3-c2ccnc(S(C)(=O)=O)n2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.62
MAP3K14 Q99558 2/20 0.37
ROCK1 Q13464 1/20 0.34
MKNK1 Q9BUB5 4/20 0.34
MKNK2 Q9HBH9 2/20 0.34
DRD3 P35462 2/20 0.33
KCNH2 Q12809 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
NR1I2 O75469 1/20 0.33
DRD2 P14416 1/20 0.32

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
SCHEMBL7497083 0.83 LCK (0.63) LCKMAP3K14ROCK1MKNK1MKNK2
SCHEMBL7021615 0.77 LCK (1.00) LCKMKNK1MKNK2
SCHEMBL7022991 0.76 LCK (0.52) LCKMAP3K14ROCK1MKNK2
SCHEMBL7497256 0.73 LCK (0.55) LCKMAP3K14ROCK1MKNK1MKNK2
SCHEMBL7020876 0.73 FGFR1 (0.53) LCKMKNK1MKNK2
SCHEMBL7022083 0.72 ROCK1 (0.59) LCKROCK1MKNK1MKNK2
SCHEMBL7017856 0.70 MKNK1 (0.50) LCKROCK1MKNK1MKNK2
SCHEMBL7105662 0.70 LCK (0.88) LCKMKNK1MKNK2
SCHEMBL7017366 0.69 LCK (0.52) LCKMAP3K14ROCK1
SCHEMBL7016429 0.68 LCK (0.85) LCKMKNK1MKNK2

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