SCHEMBL16718864

SCHEMBL16718864

N#Cc1ccc(N2CCCC(NC(=O)c3c(NC(=O)O)nn4cccnc34)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CHRM4 P08173 4/20 0.39
▸ BTK Q06187 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ FASN P49327 1/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TIPARP Q7Z3E1 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
SCHEMBL16718861 0.95 ACKR3 (0.45) GRM4ACKR3CHRM4CHRM2CHRM5
SCHEMBL16718850 0.93 GRM4 (0.47) GRM4ACKR3CHRM4CHRM2CHRM5
SCHEMBL16718884 0.91 JAK2 (0.43) GRM4ACKR3CHRM4CHRM2CHRM5
SCHEMBL16729261 0.89 JAK2 (0.44) GRM4KMT2AACKR3MEN1CHRM4
SCHEMBL16729336 0.83 ACKR3 (0.46) GRM4ACKR3CHRM4DPP4DPP8
SCHEMBL16729255 0.83 ACKR3 (0.46) GRM4ACKR3CHRM4DPP4DPP8
SCHEMBL16729338 0.83 ACKR3 (0.46) GRM4ACKR3CHRM4DPP4DPP8
SCHEMBL16729339 0.83 KDM4E (0.49) GRM4CHRM4JAK2JAK3JAK1
SCHEMBL16718898 0.81 CHRM4 (0.50) GRM4ACKR3CHRM4JAK2JAK3
SCHEMBL16718874 0.79 GRM4 (0.48) GRM4KMT2AMEN1CHRM4BTK

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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