SCHEMBL17780488

SCHEMBL17780488

CCOc1ccc(N2C(=O)[C@@H](C)N(C3CCC(F)(F)CC3)c3nc(Nc4cnc5[nH]ncc5c4)ncc32)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.35
ALK Q9UM73 3/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL17780456 0.94 PLK1 (0.38) PLK1LRRK2TBK1PARP1BRD4
SCHEMBL17780504 0.92 BRD4 (0.38) PLK1JAK2LRRK2TBK1PARP1
SCHEMBL17780372 0.92 ALK (0.35) PLK1ALKAURKADAPK3JAK2
SCHEMBL17780376 0.92 ALK (0.35) PLK1ALKAURKADAPK3JAK2
SCHEMBL17780575 0.92 JAK2 (0.36) PLK1ALKAURKADAPK3JAK2
SCHEMBL17780424 0.86 BRD4 (0.38) PLK1ALKAURKADAPK3JAK2
SCHEMBL17780532 0.86 BRD4 (0.38) PLK1LRRK2TBK1PARP1BRD4
SCHEMBL17780427 0.86 BRD4 (0.38) PLK1ALKAURKADAPK3JAK2
SCHEMBL17780480 0.85 PLK1 (0.39) PLK1TBK1PARP1BRD4BRDT
SCHEMBL17780482 0.85 PLK1 (0.39) PLK1TBK1PARP1BRD4BRDT

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-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US claimed