SCHEMBL14022945

SCHEMBL14022945

COc1cnc2nc1-c1ccnc(c1)OCC/C=C/COCc1cc(cc(OCCN3CCOCC3)c1)N2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.60
FLT3 P36888 19/20 0.60
TYK2 P29597 18/20 0.60
JAK1 P23458 15/20 0.60
CDK2 P24941 14/20 0.60
JAK3 P52333 13/20 0.60
CYP3A4 P08684 3/20 0.60
CCNA2 P20248 9/20 0.58
CCNA1 P78396 9/20 0.58
KCNH2 Q12809 1/20 0.53
CYP2D6 P10635 3/20 0.44
GAK O14976 1/20 0.39
STK16 O75716 1/20 0.39
STK10 O94804 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCB P05771 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
NQO2 P16083 1/20 0.39

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
SCHEMBL14022903 0.92 JAK2 (0.69) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022873 0.90 JAK2 (0.59) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022881 0.90 CDK2 (0.60) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022946 0.89 JAK2 (0.52) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022917 0.88 JAK2 (0.75) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022845 0.87 JAK2 (0.79) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022902 0.86 JAK2 (0.76) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14023015 0.82 JAK2 (0.75) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022948 0.80 JAK2 (0.59) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022889 0.80 JAK2 (0.58) JAK2FLT3TYK2JAK1CDK2

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-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed