SCHEMBL3969736

SCHEMBL3969736

Cc1cnc(Nc2ccc(-c3ncc[nH]3)cc2)nc1-c1ccc(-c2cccc(C(C)C)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.37
CDK2 P24941 4/20 0.37
MAPK1 P28482 1/20 0.37
AXL P30530 1/20 0.35
JAK2 O60674 1/20 0.35
TP53 P04637 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
PARP1 P09874 2/20 0.33
KDR P35968 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
SCHEMBL3968520 0.80 NISCH (0.39) CDK2AXLJAK2TP53GAA
SCHEMBL13881457 0.80 JAK2 (0.44) AXLJAK2TP53GAASMN1; SMN2
SCHEMBL4079587 0.78 JAK2 (0.54) CDK2JAK2
SCHEMBL13881491 0.78 AXL (0.44) AXLJAK2TP53GAAKDR
SCHEMBL13881583 0.77 AXL (0.54) AXLJAK2KDR
SCHEMBL3971237 0.76 AXL (0.53) AURKACDK2AXLJAK2KDR
SCHEMBL3966844 0.75 AXL (0.47) CDK2AXLJAK2
SCHEMBL3969938 0.75 AXL (0.56) AURKAAXLJAK2KDR
SCHEMBL1288588 0.70 NISCH (0.55) NISCH
SCHEMBL13524678 0.70 ADRA2A (0.44) JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed