SCHEMBL4972038

SCHEMBL4972038

COCC(Oc1nc(Cl)nc(N2CCOCC2)c1F)c1ccc(F)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.49
JAK3 P52333 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.35
NTRK1 P04629 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MTOR P42345 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL4972541 0.96 JAK2 (0.46) JAK2JAK3SMN1; SMN2MAPK1NTRK1
SCHEMBL4972050 0.89 JAK2 (0.46) JAK2JAK3SMN1; SMN2MAPK1NTRK1
SCHEMBL4973163 0.86 JAK2 (0.63) JAK2JAK3SMN1; SMN2NTRK1KCNH2
SCHEMBL4974705 0.85 JAK2 (0.49) JAK2JAK3SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4972257 0.83 JAK2 (0.59) JAK2JAK3SMN1; SMN2NTRK1KCNH2
SCHEMBL4972182 0.81 JAK2 (0.48) JAK2JAK3SMN1; SMN2MAPK1NTRK1
SCHEMBL4972196 0.80 JAK2 (0.45) JAK2JAK3SMN1; SMN2NTRK1KCNH2
SCHEMBL4980758 0.79 JAK2 (0.80) JAK2JAK3NTRK1
SCHEMBL4972548 0.78 JAK2 (0.46) JAK2JAK3SMN1; SMN2MAPK1NTRK1
SCHEMBL4973170 0.77 JAK2 (0.39) JAK2JAK3HSD17B10MTORKDM4E

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