SCHEMBL4974705

SCHEMBL4974705

COCC(Oc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.49
JAK3 P52333 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCL6 P41182 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ALK Q9UM73 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM1A O60341 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL4974714 0.89 JAK2 (0.47) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL4970845 0.85 JAK2 (0.64) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL4971410 0.85 JAK2 (0.36) JAK2JAK3
SCHEMBL4972038 0.85 JAK2 (0.49) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL4974375 0.84 JAK2 (0.36) JAK2JAK3
SCHEMBL4972541 0.82 JAK2 (0.46) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL4975403 0.81 JAK2 (0.49) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL4983862 0.80 JAK3 (0.79) JAK2JAK3
SCHEMBL4975407 0.80 JAK2 (0.46) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL4972783 0.77 JAK2 (0.36) JAK2JAK3SMN1; SMN2ALDH1A1PIK3CA

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-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed