SCHEMBL5067593

SCHEMBL5067593

Cc1cccnc1CNc1cc2c(=O)c3cc(-c4ccc(N5CCN(C(=O)O)CC5)nc4)cnc3ccc2cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.39
MST1R Q04912 3/20 0.39
EGLN1 Q9GZT9 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
FECH P22830 1/20 0.36
MGLL Q99685 1/20 0.36
CHRM1 P11229 1/20 0.36
MTOR P42345 1/20 0.36
DYRK1A Q13627 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL4313185 0.90 RET (0.42)
SCHEMBL13859978 0.89 PDE10A (0.40) METMST1REGLN1CYP3A4CYP2D6
SCHEMBL4308766 0.83 MTOR (0.43) METMST1RCYP3A4CYP2D6CYP2C9
SCHEMBL4313284 0.81 MET (0.44) METMST1R
SCHEMBL4308952 0.80 MET (0.57) METMST1RCYP3A4CYP2D6CYP2C9
SCHEMBL4312490 0.76 MET (0.45) METMST1REGLN1CYP3A4CYP2D6
SCHEMBL2443780 0.73 CCND3 (0.43) MET
SCHEMBL2453543 0.73 MET (0.42) METMST1R
SCHEMBL2449131 0.73 MET (0.47) METMST1R
SCHEMBL2445635 0.70 MET (0.50) MET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951252-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-08-06 EP claimed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed