SCHEMBL14022845

SCHEMBL14022845

COc1cnc2nc1-c1ccnc(c1)OCC/C=C/COCc1cc(ccc1OCCN1CCOCC1)N2

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.79
FLT3 P36888 20/20 0.79
TYK2 P29597 18/20 0.79
JAK1 P23458 16/20 0.79
JAK3 P52333 14/20 0.79
CDK2 P24941 12/20 0.79
CYP3A4 P08684 3/20 0.79
KCNH2 Q12809 1/20 0.70
CYP2D6 P10635 2/20 0.58
CCNA2 P20248 5/20 0.55
CCNA1 P78396 5/20 0.55
CSF1R P07333 1/20 0.51
CYP2C19 P33261 1/20 0.51
CDK9 P50750 1/20 0.51

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
SCHEMBL14022893 0.92 JAK2 (0.80) JAK2FLT3TYK2JAK1JAK3
SCHEMBL14022997 0.92 JAK2 (0.92) JAK2FLT3TYK2JAK1JAK3
SCHEMBL14022818 0.92 JAK2 (0.79) JAK2FLT3TYK2JAK1JAK3
SCHEMBL14022819 0.91 JAK2 (0.78) JAK2FLT3TYK2JAK1JAK3
SCHEMBL14022972 0.89 JAK2 (0.68) JAK2FLT3TYK2JAK1JAK3
SCHEMBL14022844 0.88 JAK2 (1.00) JAK2FLT3TYK2JAK1JAK3
SCHEMBL14023553 0.87 JAK2 (0.85) JAK2FLT3TYK2JAK1JAK3
SCHEMBL14022945 0.87 JAK2 (0.60) JAK2FLT3TYK2JAK1JAK3
SCHEMBL14023557 0.87 JAK2 (0.84) JAK2FLT3TYK2JAK1JAK3
SCHEMBL14022825 0.85 JAK2 (0.63) JAK2FLT3TYK2JAK1JAK3

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