SCHEMBL4856403

SCHEMBL4856403

C=CCOCc1cc(Nc2nccc(-c3ccc4ccn(CC=C)c4c3)n2)ccc1OCCN1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.38
JAK2 O60674 4/20 0.38
JAK3 P52333 4/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
IKBKE Q14164 2/20 0.37
TBK1 Q9UHD2 2/20 0.37
SYK P43405 4/20 0.36
BRAF P15056 1/20 0.34
AXL P30530 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
IGF1R P08069 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL4751809 0.85 ABL1 (0.42) AIMP2JAK2JAK3ABL1BCR
SCHEMBL14023511 0.84 ABL1 (0.40) AIMP2JAK2JAK3CDK2FLT3
SCHEMBL1098407 0.84 ABL1 (0.43) AIMP2JAK2JAK3ABL1BCR
SCHEMBL1108273 0.83 AIMP2 (0.47) AIMP2JAK2JAK3CDK2ABL1
SCHEMBL4749275 0.82 ABL1 (0.39) AIMP2JAK2JAK3ABL1BCR
SCHEMBL1098894 0.82 SYK (0.40) AIMP2JAK2JAK3FLT3ABL1
SCHEMBL1098622 0.81 ABL1 (0.40) AIMP2JAK2JAK3CDK2FLT3
SCHEMBL14845405 0.81 ABL1 (0.41) AIMP2JAK2JAK3CDK2ABL1
SCHEMBL14022857 0.81 IGF1R (0.40) AIMP2JAK2JAK3CDK2ABL1
SCHEMBL1099020 0.80 JAK2 (0.43) AIMP2JAK2JAK3CDK2FLT3

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-2008060248-A1 INDOLE SUSTITUTED PYRIMIDINES AND USE THEREOF IN THE TREATMENT OF CANCER S*BIO PTE LTD. (SG) 2008-05-22 WO disclosed