SCHEMBL16729335

SCHEMBL16729335

N#Cc1ccc(N2CCC(NC(=O)c3c(N)nn4ccc(C5CC5)nc34)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.45
▸ JAK2 O60674 10/20 0.42
▸ JAK3 P52333 10/20 0.42
▸ KCNH2 Q12809 8/20 0.42
▸ JAK1 P23458 7/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ PANK3 Q9H999 1/20 0.41
▸ DPP4 P27487 2/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ FASN P49327 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL16729256 0.88 CHRM4 (0.43) JAK2JAK3KCNH2JAK1CHRM4
SCHEMBL16729253 0.85 JAK2 (0.46) JAK2JAK3KCNH2JAK1CHRM4
SCHEMBL16718849 0.84 HSD11B1 (0.40) HSD11B1JAK2JAK3KCNH2JAK1
SCHEMBL16718933 0.84 HSD11B1 (0.46) HSD11B1JAK2JAK3KCNH2JAK1
SCHEMBL16729336 0.81 ACKR3 (0.46) JAK2JAK3KCNH2JAK1CHRM4
SCHEMBL16729338 0.81 ACKR3 (0.46) JAK2JAK3KCNH2JAK1CHRM4
SCHEMBL16729255 0.81 ACKR3 (0.46) JAK2JAK3KCNH2JAK1CHRM4
Trifluoroacetic Acid SCHEMBL16718895 0.81 DPP4 (0.49) JAK2JAK3KCNH2JAK1CHRM4
SCHEMBL16729261 0.77 JAK2 (0.44) JAK2JAK3KCNH2JAK1CHRM4
SCHEMBL16718898 0.77 CHRM4 (0.50) JAK2JAK3KCNH2JAK1CHRM4

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