SCHEMBL7494174

SCHEMBL7494174

CSc1nccc(-n2cnc3cc(I)ccc32)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.44
MAP3K14 Q99558 4/20 0.41
MKNK1 Q9BUB5 4/20 0.41
LCK P06239 7/20 0.40
FGFR1 P11362 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MKNK2 Q9HBH9 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK2 P24941 1/20 0.37

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
SCHEMBL7018051 0.84 LCK (0.55) ROCK1MAP3K14LCKFGFR1RPS6KA5
SCHEMBL7024738 0.83 ROCK1 (0.62) ROCK1MKNK1LCKRPS6KA5MKNK2
SCHEMBL7492144 0.82 ROCK1 (0.39) ROCK1MAP3K14MKNK1LCKFGFR1
SCHEMBL7498487 0.81 LCK (0.57) ROCK1MAP3K14MKNK1LCKFGFR1
SCHEMBL7021644 0.81 MAP3K14 (0.39) ROCK1MAP3K14MKNK1LCKFGFR1
SCHEMBL7027073 0.80 FGFR1 (0.54) MKNK1LCKFGFR1MKNK2ALDH1A1
SCHEMBL7024457 0.79 LCK (0.55) ROCK1MAP3K14LCK
SCHEMBL7016970 0.78 MKNK1 (0.52) ROCK1MAP3K14MKNK1LCKFGFR1
SCHEMBL7021439 0.78 JAK2 (0.53) ROCK1MAP3K14MKNK1RPS6KA5MKNK2
SCHEMBL7496738 0.77 LCK (0.46) ROCK1MAP3K14LCKFGFR1RPS6KA5

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