SCHEMBL16718884

SCHEMBL16718884

N#Cc1ccc(N2CCC(NC(=O)c3c(NC(=O)O)nn4cccnc34)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.43
▸ JAK3 P52333 7/20 0.43
▸ JAK1 P23458 6/20 0.43
▸ KCNH2 Q12809 6/20 0.43
▸ CHRM4 P08173 2/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ RET P07949 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
SCHEMBL16718861 0.96 ACKR3 (0.45) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL16718850 0.91 GRM4 (0.47) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL16718864 0.91 GRM4 (0.41) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL16729253 0.88 JAK2 (0.46) JAK2JAK3JAK1KCNH2CHRM4
Trifluoroacetic Acid SCHEMBL16718895 0.85 DPP4 (0.49) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL16729338 0.84 ACKR3 (0.46) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL16729336 0.84 ACKR3 (0.46) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL16729255 0.84 ACKR3 (0.46) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL16718898 0.79 CHRM4 (0.50) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL16729261 0.79 JAK2 (0.44) JAK2JAK3JAK1KCNH2CHRM4

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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