SCHEMBL4464303

SCHEMBL4464303

Cc1nc(N2CCOCC2)ccc1-c1ccc(NC(=O)Nc2cc(C(C)(C)C)cc(C#CCO)c2C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.42
RAF1 P04049 4/20 0.41
ABL1 P00519 3/20 0.41
LYN P07948 3/20 0.41
MAPK9 P45984 3/20 0.41
EGFR P00533 2/20 0.41
BRAF P15056 2/20 0.41
EPHA2 P29317 2/20 0.41
EPHA3 P29320 2/20 0.41
AKT1 P31749 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3A P49840 5/20 0.38
SRC P12931 5/20 0.38
GSK3B P49841 2/20 0.38
CLK2 P49760 1/20 0.38
CSNK2A1 P68400 1/20 0.38
STK3 Q13188 1/20 0.38

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
SCHEMBL7070212 0.82 MAPK14 (0.49) MAPK14RAF1ABL1LYNMAPK9
SCHEMBL4094151 0.80 MAPK14 (0.68) MAPK14RAF1ABL1LYNMAPK9
SCHEMBL7069581 0.80 BRAF (0.53) MAPK14RAF1ABL1LYNMAPK9
SCHEMBL27578812 0.80 MAPK14 (0.44) MAPK14RAF1ABL1LYNMAPK9
SCHEMBL4453272 0.77 BRAF (0.48) MAPK14RAF1ABL1LYNMAPK9
SCHEMBL4464429 0.77 PIK3CA (0.52) KDM4EMEN1USP2KMT2AGSK3A
SCHEMBL4459778 0.77 MAPK14 (0.44) MAPK14RAF1ABL1LYNMAPK9
SCHEMBL7189256 0.75 RAF1 (0.54) RAF1BRAFAKT1KDM4EGSK3A
SCHEMBL27559838 0.74 MAPK14 (0.54) MAPK14RAF1BRAFKDM4EKMT2A
SCHEMBL28747223 0.73 CLK2 (0.49) MAPK14RAF1BRAFKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed