SCHEMBL1632137

SCHEMBL1632137

CNC(=O)Cc1ccc(Nc2ncc3cccc(-c4ccc(NCCN5CCCC5)nc4)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.46
FGFR2 P21802 1/20 0.43
JUN P05412 4/20 0.40
BRAF P15056 1/20 0.40
MAPK8 P45983 2/20 0.40
IGF1R P08069 1/20 0.40
JAK2 O60674 2/20 0.39
BRD4 O60885 2/20 0.39
EGFR P00533 4/20 0.39
JAK1 P23458 1/20 0.37
BRD2 P25440 1/20 0.37
JAK3 P52333 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
SRC P12931 1/20 0.37
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
WEE1 P30291 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
SCHEMBL1634161 0.92 FGFR2 (0.42) MAPK10FGFR2JUNBRAFJAK2
SCHEMBL12724595 0.90 MAPK10 (0.45) MAPK10FGFR2JUNBRAFMAPK8
SCHEMBL1631671 0.87 MAPK10 (0.44) MAPK10FGFR2JUNBRAFMAPK8
SCHEMBL1632441 0.87 MAPK10 (0.48) MAPK10FGFR2JUNBRAFMAPK8
SCHEMBL1631175 0.86 FGFR2 (0.45) MAPK10FGFR2JUNBRAFMAPK8
SCHEMBL1634890 0.86 MAPK10 (0.47) MAPK10FGFR2JUNBRAFMAPK8
SCHEMBL1632922 0.85 JAK2 (0.48) MAPK10FGFR2JUNMAPK8JAK2
SCHEMBL1634397 0.85 MAPK10 (0.59) MAPK10FGFR2JUNBRAFMAPK8
SCHEMBL1633503 0.85 MAPK10 (0.47) MAPK10FGFR2JUNBRAFMAPK8
SCHEMBL13498285 0.84 MAPK10 (0.47) MAPK10FGFR2JUNBRAFMAPK8

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
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed