SCHEMBL4038568

SCHEMBL4038568

CCCCN(C(=O)c1ccncc1)c1ccc(C)c(Nc2ccnn2-c2cc(NC(=O)CN(C)C)ncn2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
MAPK14 Q16539 6/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MLYCD O95822 1/20 0.32
MAPK13 O15264 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
INSR P06213 1/20 0.31
LCK P06239 1/20 0.31
LYN P07948 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
ABL1 P00519 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL4039605 0.82 MAPK14 (0.43) MAPK14INSRLCKLYNSRC
SCHEMBL4044844 0.77 PDE10A (0.35) PDE10AMAPK14MLYCD
SCHEMBL3593604 0.74 MAPK14 (0.44) MAPK14INSRLCKLYNSRC
SCHEMBL4039604 0.61 MAPK14 (0.58) MAPK14INSRLCKLYNSRC
SCHEMBL3598459 0.61 MAPK14 (0.49) MAPK14
SCHEMBL3590268 0.60 BRAF (0.43) MAPK14INSRLCKLYNSRC
SCHEMBL3589074 0.59 BRAF (0.42) MAPK14INSRLCKLYNSRC
SCHEMBL3590014 0.59 RAF1 (0.55)
SCHEMBL9970882 0.59 MAPK14 (0.43) MAPK14INSRLCKLYNSRC
SCHEMBL9967408 0.59 INSR (0.52) MAPK14MAPK13MAPK12MAPK11INSR

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-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed