SCHEMBL4975407

SCHEMBL4975407

COC(CNc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.46
JAK3 P52333 12/20 0.46
SMN1; SMN2 Q16637 3/20 0.38
BCL6 P41182 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LRRK2 Q5S007 1/20 0.34
GPR6 P46095 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
SCHEMBL4972492 0.88 JAK2 (0.36) JAK2JAK3
SCHEMBL4969772 0.88 JAK2 (0.48) JAK2JAK3SMN1; SMN2BCL6KDM4E
SCHEMBL4972196 0.84 JAK2 (0.45) JAK2JAK3SMN1; SMN2KDM4EALDH1A1
SCHEMBL4974714 0.83 JAK2 (0.47) JAK2JAK3SMN1; SMN2BCL6KDM4E
SCHEMBL4975403 0.83 JAK2 (0.49) JAK2JAK3SMN1; SMN2BCL6KDM4E
SCHEMBL4974705 0.80 JAK2 (0.49) JAK2JAK3SMN1; SMN2BCL6KDM4E
SCHEMBL4972221 0.79 JAK2 (0.61) JAK2JAK3SMN1; SMN2BCL6KDM4E
SCHEMBL4970845 0.76 JAK2 (0.64) JAK2JAK3SMN1; SMN2BCL6KDM4E
SCHEMBL4969755 0.72 JAK2 (0.50) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL4971418 0.72 JAK2 (0.36) JAK2JAK3GPR6

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