SCHEMBL4749514

SCHEMBL4749514

CC(Nc1cncc(Cl)n1)c1ccc(F)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.60
JAK3 P52333 8/20 0.59
NTRK1 P04629 8/20 0.44
FLT3 P36888 3/20 0.42
LCK P06239 2/20 0.42
RET P07949 2/20 0.42
CDK2 P24941 2/20 0.42
MUSK O15146 1/20 0.42
FGFR3 P22607 1/20 0.42
CCNE1 P24864 1/20 0.42
PTK2B Q14289 1/20 0.42
CSF1R P07333 3/20 0.41
AURKA O14965 2/20 0.41
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
FGFR1 P11362 2/20 0.41
PTK2 Q05397 2/20 0.41
BTK Q06187 2/20 0.41
ALK Q9UM73 2/20 0.41
FYN P06241 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
SCHEMBL14672478 1.00 JAK2 (0.60) JAK2JAK3NTRK1FLT3LCK
SCHEMBL14676792 0.83 JAK2 (0.51) JAK2JAK3NTRK1FLT3LCK
SCHEMBL14676793 0.83 JAK2 (0.51) JAK2JAK3NTRK1FLT3LCK
SCHEMBL13313087 0.81 AURKA (0.52) NTRK1RETCSF1RAURKAFLT1
SCHEMBL3557473 0.81 AURKA (0.52) NTRK1RETCSF1RAURKAFLT1
SCHEMBL3515072 0.81 AURKA (0.52) NTRK1RETCSF1RAURKAFLT1
SCHEMBL4984208 0.80 JAK2 (0.50) JAK2JAK3NTRK1FLT3LCK
SCHEMBL4984204 0.80 JAK2 (0.50) JAK2JAK3NTRK1FLT3LCK
SCHEMBL14672541 0.78 JAK2 (0.47) JAK2JAK3NTRK1FLT3LCK
SCHEMBL14672540 0.78 JAK2 (0.47) JAK2JAK3NTRK1FLT3LCK

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
WO-2008117050-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRAZINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-02 WO disclosed