SCHEMBL14219008

SCHEMBL14219008

CCC(C)(C#N)c1cccc(C(=O)Nc2ccc(C)c(Nc3cc(CN4CCOCC4)nn3-c3cc(NCCN4CCOCC4)ccn3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.47
LCK P06239 5/20 0.47
BRAF P15056 11/20 0.45
RAF1 P04049 6/20 0.43
KDR P35968 2/20 0.43
INSR P06213 1/20 0.43
LYN P07948 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL3597708 0.92 LCK (0.51) MAPK14LCKBRAFKDRINSR
SCHEMBL9970885 0.88 BRAF (0.49) MAPK14LCKBRAFRAF1KDR
SCHEMBL3585282 0.85 BRAF (0.56) MAPK14LCKBRAFRAF1KDR
SCHEMBL3591864 0.84 LCK (0.56) MAPK14LCKBRAFRAF1KDR
SCHEMBL3591618 0.83 LCK (0.50) MAPK14LCKBRAFKDRINSR
SCHEMBL3634395 0.83 LCK (0.61) MAPK14LCKBRAFRAF1KDR
SCHEMBL3587204 0.81 RAF1 (0.55) MAPK14BRAFRAF1
SCHEMBL3591172 0.81 LCK (0.52) MAPK14LCKBRAFKDRINSR
SCHEMBL13503129 0.80 BRAF (0.47) MAPK14LCKBRAFRAF1KDR
SCHEMBL3593034 0.80 MAPK14 (0.55) MAPK14LCKBRAFRAF1KDR

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
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed