SCHEMBL7497083

SCHEMBL7497083

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.63
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP3K14 Q99558 2/20 0.38
FGFR1 P11362 1/20 0.37
ROCK1 Q13464 1/20 0.35
MKNK1 Q9BUB5 3/20 0.35
MKNK2 Q9HBH9 2/20 0.35
DRD3 P35462 2/20 0.34
KCNH2 Q12809 2/20 0.34
KHK P50053 2/20 0.33
TSHR P16473 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL7496382 0.83 LCK (0.62) LCKMAP3K14ROCK1MKNK1MKNK2
SCHEMBL7021615 0.77 LCK (1.00) LCKMKNK1MKNK2
SCHEMBL7018051 0.76 LCK (0.55) LCKALDH1A1LMNAGAAMAPT
SCHEMBL7494174 0.73 ROCK1 (0.44) LCKALDH1A1LMNAGAAMAPT
SCHEMBL7027073 0.72 FGFR1 (0.54) LCKALDH1A1LMNAGAAFGFR1
SCHEMBL7492144 0.72 ROCK1 (0.39) LCKALDH1A1LMNAGAAMAPT
SCHEMBL7498487 0.71 LCK (0.57) LCKALDH1A1LMNAGAAMAPT
SCHEMBL7105662 0.71 LCK (0.88) LCKMKNK1MKNK2
SCHEMBL7024738 0.70 ROCK1 (0.62) LCKROCK1MKNK1MKNK2
SCHEMBL7024457 0.69 LCK (0.55) LCKMAP3K14ROCK1

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