SCHEMBL16729256

SCHEMBL16729256

COc1ccn2nc(N)c(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.43
▸ JAK2 O60674 10/20 0.41
▸ JAK3 P52333 10/20 0.41
▸ KCNH2 Q12809 8/20 0.41
▸ JAK1 P23458 7/20 0.41
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ EGLN1 Q9GZT9 2/20 0.39
▸ RET P07949 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL16729335 0.88 HSD11B1 (0.45) CHRM4JAK2JAK3KCNH2JAK1
SCHEMBL16729253 0.85 JAK2 (0.46) CHRM4JAK2JAK3KCNH2JAK1
SCHEMBL16718847 0.85 DPP4 (0.38) CHRM4JAK2JAK3KCNH2JAK1
SCHEMBL16729338 0.81 ACKR3 (0.46) CHRM4JAK2JAK3KCNH2JAK1
SCHEMBL16729255 0.81 ACKR3 (0.46) CHRM4JAK2JAK3KCNH2JAK1
SCHEMBL16729336 0.81 ACKR3 (0.46) CHRM4JAK2JAK3KCNH2JAK1
Trifluoroacetic Acid SCHEMBL16718895 0.80 DPP4 (0.49) CHRM4JAK2JAK3KCNH2JAK1
SCHEMBL16729261 0.76 JAK2 (0.44) CHRM4JAK2JAK3KCNH2JAK1
SCHEMBL16718898 0.76 CHRM4 (0.50) CHRM4JAK2JAK3KCNH2JAK1
SCHEMBL16718849 0.74 HSD11B1 (0.40) CHRM4JAK2JAK3KCNH2JAK1

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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