SCHEMBL4694110

SCHEMBL4694110

Cc1cc(Nc2nc(NC(CO)c3ccc(F)cc3)ncc2N)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.60
JAK2 O60674 8/20 0.50
JAK3 P52333 7/20 0.50
JAK1 P23458 4/20 0.48
TYK2 P29597 4/20 0.48
AURKA O14965 2/20 0.48
PLK4 O00444 2/20 0.48
PAK4 O96013 2/20 0.48
STK10 O94804 1/20 0.48
RET P07949 1/20 0.48
FGFR1 P11362 1/20 0.48
FER P16591 1/20 0.48
CSNK2A2 P19784 1/20 0.48
FLT3 P36888 1/20 0.48
STAT3 P40763 1/20 0.48
STAT5A P42229 1/20 0.48
CDK3 Q00526 1/20 0.48
PTK2 Q05397 1/20 0.48
TNK2 Q07912 1/20 0.48
STK4 Q13043 1/20 0.48

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
SCHEMBL4694101 1.00 NTRK1 (0.60) NTRK1JAK2JAK3JAK1TYK2
SCHEMBL4696343 0.86 JAK2 (0.50) NTRK1JAK2JAK3JAK1TYK2
SCHEMBL4696346 0.86 JAK2 (0.50) NTRK1JAK2JAK3JAK1TYK2
SCHEMBL4072344 0.85 NTRK1 (0.80) NTRK1
SCHEMBL4697160 0.84 NTRK1 (0.55) NTRK1JAK2JAK3JAK1TYK2
SCHEMBL4697154 0.84 NTRK1 (0.55) NTRK1JAK2JAK3JAK1TYK2
SCHEMBL4618549 0.83 NTRK1 (0.67) NTRK1JAK2JAK3JAK1TYK2
SCHEMBL2568696 0.83 NTRK1 (0.52) NTRK1JAK2JAK3JAK1TYK2
SCHEMBL3137642 0.82 NTRK1 (0.50) NTRK1JAK2JAK3JAK1TYK2
SCHEMBL3137662 0.82 NTRK1 (0.50) NTRK1JAK2JAK3JAK1TYK2

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-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed