SCHEMBL16718850

SCHEMBL16718850

N#Cc1ccc(N2CC(NC(=O)c3c(NC(=O)O)nn4cccnc34)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.47
▸ CHRM4 P08173 4/20 0.45
▸ ACKR3 P25106 1/20 0.38
▸ SPR P35270 1/20 0.38
▸ JAK2 O60674 3/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DPP4 P27487 2/20 0.37
▸ DPP8 Q6V1X1 2/20 0.37
▸ DPP9 Q86TI2 2/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35

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 0.94 ACKR3 (0.45) GRM4CHRM4ACKR3JAK2JAK3
SCHEMBL16718864 0.93 GRM4 (0.41) GRM4CHRM4ACKR3JAK2JAK3
SCHEMBL16718884 0.91 JAK2 (0.43) GRM4CHRM4ACKR3JAK2JAK3
SCHEMBL16718898 0.88 CHRM4 (0.50) GRM4CHRM4ACKR3JAK2JAK3
SCHEMBL16729255 0.82 ACKR3 (0.46) GRM4CHRM4ACKR3JAK2JAK3
SCHEMBL16729336 0.82 ACKR3 (0.46) GRM4CHRM4ACKR3JAK2JAK3
SCHEMBL16729338 0.82 ACKR3 (0.46) GRM4CHRM4ACKR3JAK2JAK3
SCHEMBL16729261 0.80 JAK2 (0.44) GRM4CHRM4ACKR3JAK2JAK3
SCHEMBL16729253 0.79 JAK2 (0.46) CHRM4ACKR3JAK2JAK3JAK1
SCHEMBL16718803 0.76 GRM4 (0.59) GRM4CHRM4JAK2JAK3JAK1

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
Send feedback