SCHEMBL13355469

SCHEMBL13355469

COCCOc1ccc2cc1CN(C)C/C=C/COCc1ccc(s1)-c1ccnc(n1)O2

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.72
FLT3 P36888 20/20 0.72
CDK2 P24941 16/20 0.72
TYK2 P29597 10/20 0.72
JAK1 P23458 8/20 0.72
JAK3 P52333 6/20 0.48
KCNH2 Q12809 1/20 0.48
CCNA2 P20248 10/20 0.43
CCNA1 P78396 10/20 0.43
CYP2D6 P10635 1/20 0.35

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
SCHEMBL823870 0.83 JAK2 (1.00) JAK2FLT3CDK2TYK2JAK1
SCHEMBL824050 0.74 JAK2 (0.82) JAK2FLT3CDK2TYK2JAK1
SCHEMBL823965 0.70 JAK2 (0.78) JAK2FLT3CDK2TYK2JAK1
SCHEMBL824053 0.69 JAK2 (0.75) JAK2FLT3CDK2TYK2JAK1
SCHEMBL824015 0.69 JAK2 (1.00) JAK2FLT3CDK2TYK2JAK1
SCHEMBL824047 0.68 JAK2 (0.77) JAK2FLT3CDK2TYK2JAK1
SCHEMBL824052 0.68 JAK2 (0.77) JAK2FLT3CDK2TYK2JAK1
SCHEMBL824031 0.68 FLT3 (0.71) JAK2FLT3CDK2TYK2JAK1
SCHEMBL824123 0.68 FLT3 (0.72) JAK2FLT3CDK2TYK2JAK1
SCHEMBL9912312 0.67 JAK2 (0.69) JAK2FLT3CDK2TYK2JAK1

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
EP-1951730-B1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S BIO PTE LTD (SG) 2010-05-26 EP disclosed