SCHEMBL3420176

SCHEMBL3420176

CC(C)Oc1cc(Nc2ccc(C#N)c(NC(C)c3ccc(F)cn3)n2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.62
NTRK1 P04629 7/20 0.62
CDK2 P24941 4/20 0.62
FLT3 P36888 3/20 0.62
LCK P06239 2/20 0.62
RET P07949 2/20 0.62
MUSK O15146 1/20 0.62
FGFR3 P22607 1/20 0.62
CCNE1 P24864 1/20 0.62
PTK2B Q14289 1/20 0.62
JAK2 O60674 17/20 0.60
AURKB Q96GD4 3/20 0.60
STAT5B P51692 2/20 0.54
AURKA O14965 2/20 0.46
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
FGFR1 P11362 2/20 0.46
PTK2 Q05397 2/20 0.46
BTK Q06187 2/20 0.46
ALK Q9UM73 2/20 0.46

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
SCHEMBL23217032 1.00 JAK3 (0.62) JAK3NTRK1CDK2FLT3LCK
SCHEMBL30009943 1.00 JAK3 (0.62) JAK3NTRK1CDK2FLT3LCK
SCHEMBL422361 0.90 JAK3 (0.77) JAK3NTRK1CDK2FLT3LCK
SCHEMBL422468 0.90 JAK3 (0.77) JAK3NTRK1CDK2FLT3LCK
SCHEMBL3420180 0.85 JAK3 (0.53) JAK3NTRK1CDK2FLT3LCK
SCHEMBL29794832 0.83 JAK2 (0.58) JAK3NTRK1CDK2FLT3LCK
SCHEMBL10027491 0.79 JAK3 (0.58) JAK3NTRK1CDK2FLT3LCK
SCHEMBL3041951 0.79 NTRK1 (0.69) JAK3NTRK1CDK2FLT3LCK
SCHEMBL2513814 0.78 JAK3 (0.59) JAK3NTRK1CDK2FLT3LCK
SCHEMBL588730 0.77 NTRK1 (0.73) JAK3NTRK1FLT3LCKRET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072238-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2021-04-15 WO disclosed
EP-2164490-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. AstraZeneca AB (SE) 2010-03-24 EP disclosed
WO-2008054292-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. ASTRAZENECA AB (SE) 2008-05-08 WO disclosed