SCHEMBL4975403

SCHEMBL4975403

COCC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.49
JAK3 P52333 12/20 0.49
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
BCL6 P41182 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4969755 0.87 JAK2 (0.50) JAK2JAK3SMN1; SMN2MAPK1NPC1
SCHEMBL4972182 0.84 JAK2 (0.48) JAK2JAK3SMN1; SMN2MAPK1NPC1
SCHEMBL4975407 0.83 JAK2 (0.46) JAK2JAK3SMN1; SMN2BCL6NPC1
SCHEMBL4972221 0.81 JAK2 (0.61) JAK2JAK3SMN1; SMN2BCL6KDM4E
SCHEMBL4972548 0.81 JAK2 (0.46) JAK2JAK3SMN1; SMN2MAPK1
SCHEMBL4974705 0.81 JAK2 (0.49) JAK2JAK3SMN1; SMN2MAPK1BCL6
SCHEMBL13494472 0.81 JAK2 (0.53) JAK2JAK3
SCHEMBL4974714 0.79 JAK2 (0.47) JAK2JAK3SMN1; SMN2MAPK1BCL6
SCHEMBL4970845 0.75 JAK2 (0.64) JAK2JAK3SMN1; SMN2MAPK1BCL6
SCHEMBL4980198 0.74 JAK2 (0.64) JAK2JAK3SMN1; SMN2KDM4E

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