SCHEMBL8891253

SCHEMBL8891253

COCCOc1ccc(Nc2nc(Nc3ccc(F)cc3)c3cccc(OC)c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.51
BTK Q06187 5/20 0.47
EGFR P00533 5/20 0.47
JAK2 O60674 1/20 0.47
LYN P07948 1/20 0.47
TEC P42680 1/20 0.47
TXK P42681 1/20 0.47
BMX P51813 1/20 0.47
JAK3 P52333 1/20 0.47
CD69 Q07108 1/20 0.47
ITK Q08881 1/20 0.47
NPY5R Q15761 1/20 0.46
KCNH3 Q9ULD8 3/20 0.46
AURKA O14965 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL8890323 0.92 NPY5R (0.45) SYKBTKEGFRJAK2LYN
Hydrochloric Acid SCHEMBL8890553 0.91 NPY5R (0.44) SYKBTKEGFRJAK2LYN
SCHEMBL8892661 0.83 MERTK (0.56) SYKEGFRADORA2A
Hydrochloric Acid SCHEMBL8890483 0.83 MERTK (0.56) SYKEGFRADORA2A
SCHEMBL8899460 0.81 NPY5R (0.70) NPY5RKCNH3TP53MAPT
Hydrochloric Acid SCHEMBL6039334 0.80 NPY5R (0.69) NPY5RKCNH3TP53MAPT
Hydrochloric Acid SCHEMBL6039207 0.80 NPY5R (0.69) NPY5RKCNH3TP53MAPT
SCHEMBL8900523 0.80 TP53 (0.42) NPY5RKCNH3TP53MAPT
SCHEMBL8898903 0.78 NPY5R (0.77) NPY5RKCNH3TP53MAPT
SCHEMBL8897065 0.77 NPY5R (0.68) SYKEGFRNPY5RMAPT

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-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed