SCHEMBL16718794

SCHEMBL16718794

CN(C(=O)c1c(N)nn2cccnc12)C1CCN(C(=O)CC#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.43
▸ JAK1 P23458 9/20 0.43
▸ JAK3 P52333 11/20 0.42
▸ TYK2 P29597 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CG P48736 1/20 0.37

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
SCHEMBL16718880 0.86 JAK2 (0.39) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL16729327 0.81 KDM4E (0.47) JAK2JAK1JAK3PIK3CDPIK3R1
SCHEMBL16718875 0.77 KDM4E (0.44) JAK2JAK1JAK3PIK3CDPIK3R1
SCHEMBL16729330 0.74 JAK3 (0.47) JAK2JAK1JAK3
SCHEMBL16718873 0.68 JAK2 (0.42) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL16718838 0.67 KDM4E (0.44) JAK2JAK1JAK3
SCHEMBL21585146 0.67 PIK3CG (0.44) JAK2JAK3PIK3CDPIK3R1PIK3CG
SCHEMBL16619547 0.65 PIK3CG (0.45) JAK2JAK3PIK3CDPIK3R1PIK3CG
SCHEMBL17657041 0.65 PIK3CG (0.45) JAK2JAK1JAK3TYK2PIK3CD
SCHEMBL18208430 0.64 PIK3CG (0.44) JAK2JAK3PIK3CDPIK3R1PIK3CG

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-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 — — WO disclosed
WO-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 — — WO disclosed
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