SCHEMBL20171970

SCHEMBL20171970

N#Cc1ccc(Nc2ncc(C#CCCCO)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.51
SYK P43405 4/20 0.50
AURKA O14965 2/20 0.50
KDR P35968 6/20 0.47
CDK1 P06493 6/20 0.47
FLT3 P36888 3/20 0.45
MAPK9 P45984 2/20 0.43
MAPK10 P53779 1/20 0.43
CDK2 P24941 2/20 0.42
CNR2 P34972 1/20 0.41
EGFR P00533 1/20 0.41
IGF1R P08069 2/20 0.41
PLK4 O00444 1/20 0.41
PDPK1 O15530 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL20171967 0.91 SYK (0.51) MERTKSYKAURKAKDRCDK1
SCHEMBL15584131 0.85 FLT3 (0.60) MERTKSYKAURKAKDRCDK1
SCHEMBL20172011 0.83 KDR (0.41) MERTKKDRCDK1FLT3EGFR
SCHEMBL16450162 0.80 SYK (0.58) SYKAURKAFLT3MAPK9MAPK10
SCHEMBL15585214 0.80 SYK (0.52) SYKAURKAFLT3STK17A
SCHEMBL15584553 0.79 MERTK (0.49) MERTKSYKAURKAKDRCDK1
SCHEMBL20171963 0.79 SYK (0.49) MERTKSYKAURKAKDRCDK1
SCHEMBL20172044 0.79 FLT3 (0.54) MERTKSYKAURKAKDRCDK1
SCHEMBL20172050 0.78 SYK (0.51) MERTKSYKAURKAFLT3MAPK9
SCHEMBL15584301 0.78 SYK (0.51) SYKAURKAFLT3MAPK9MAPK10

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-3323811-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM Corporation (JP) 2018-05-23 EP disclosed