SCHEMBL20172039

SCHEMBL20172039

C=C(NCCCC#Cc1cnc(Nc2ccc(C#N)cc2)nc1NCC)[C@H](C)NC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.56
SYK P43405 1/20 0.39
AURKA O14965 1/20 0.37
JAK1 P23458 2/20 0.36
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
BLK P51451 1/20 0.36
ITK Q08881 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
MERTK Q12866 1/20 0.35
CHEK1 O14757 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM5 P41594 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 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
SCHEMBL15584736 0.86 FLT3 (0.70) FLT3SYKAURKAJAK1JAK3
SCHEMBL15585805 0.86 FLT3 (0.70) FLT3SYKAURKAJAK1JAK3
SCHEMBL17969617 0.86 FLT3 (0.70) FLT3SYKAURKAJAK1JAK3
SCHEMBL20172044 0.82 FLT3 (0.54) FLT3SYKAURKAJAK1JAK3
SCHEMBL16450161 0.81 FLT3 (0.56) FLT3SYKAURKAJAK1JAK3
SCHEMBL16450121 0.81 FLT3 (0.68) FLT3SYKAURKAJAK1JAK3
SCHEMBL15585827 0.80 FLT3 (0.67) FLT3SYKAURKAJAK1JAK3
SCHEMBL15585824 0.80 FLT3 (0.67) FLT3SYKAURKAJAK1JAK3
SCHEMBL19675944 0.80 FLT3 (0.67) FLT3SYKAURKAJAK1JAK3
SCHEMBL16520189 0.79 FLT3 (0.66) FLT3SYKAURKAJAK1JAK3

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