SCHEMBL4969772

SCHEMBL4969772

COC(CNc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.48
JAK3 P52333 12/20 0.48
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BCL6 P41182 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL4972196 0.88 JAK2 (0.45) JAK2JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL4975407 0.88 JAK2 (0.46) JAK2JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL4969755 0.82 JAK2 (0.50) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL4980198 0.81 JAK2 (0.64) JAK2JAK3SMN1; SMN2KDM4E
SCHEMBL4972492 0.75 JAK2 (0.36) JAK2JAK3
SCHEMBL4975389 0.74 JAK2 (0.61) JAK2JAK3SMN1; SMN2KDM4E
SCHEMBL4972215 0.74 JAK2 (0.39) JAK2JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL4972182 0.74 JAK2 (0.48) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL4975403 0.73 JAK2 (0.49) JAK2JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL4972207 0.72 JAK2 (0.64) JAK2JAK3

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