SCHEMBL16729327

SCHEMBL16729327

N#CCC(=O)N1CCC(NC(=O)c2c(N)nn3cccnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ JAK2 O60674 13/20 0.46
▸ JAK3 P52333 4/20 0.46
▸ JAK1 P23458 10/20 0.43
▸ PIK3CD O00329 5/20 0.41
▸ PIK3CG P48736 5/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ PIK3CA P42336 4/20 0.39
▸ PIK3CB P42338 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 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
SCHEMBL16718875 0.94 KDM4E (0.44) KDM4EHSD17B10JAK2JAK3JAK1
SCHEMBL16729330 0.89 JAK3 (0.47) JAK2JAK3JAK1
SCHEMBL16718838 0.81 KDM4E (0.44) KDM4EHSD17B10JAK2JAK3JAK1
SCHEMBL16718794 0.81 JAK2 (0.43) JAK2JAK3JAK1PIK3CDPIK3CG
SCHEMBL16718795 0.79 JAK2 (0.47) JAK2JAK3JAK1PIK3CDPIK3CG
SCHEMBL16729253 0.78 JAK2 (0.46) JAK2JAK3JAK1PIK3CDPIK3CG
SCHEMBL16729255 0.75 ACKR3 (0.46) JAK2JAK3JAK1PIK3CDPIK3CG
SCHEMBL16729338 0.75 ACKR3 (0.46) JAK2JAK3JAK1PIK3CDPIK3CG
SCHEMBL16729336 0.75 ACKR3 (0.46) JAK2JAK3JAK1PIK3CDPIK3CG
SCHEMBL16718808 0.75 ATR (0.47) JAK2JAK3JAK1PIK3CDPIK3CG

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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