SCHEMBL16718795

SCHEMBL16718795

Nc1nn2cccnc2c1C(=O)NC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.47
▸ JAK1 P23458 6/20 0.47
▸ PIK3CD O00329 10/20 0.45
▸ PIK3CG P48736 9/20 0.45
▸ PIK3CA P42336 7/20 0.45
▸ PIK3CB P42338 7/20 0.45
▸ PIK3R2 O00459 3/20 0.44
▸ ATR Q13535 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL16718808 0.93 ATR (0.47) JAK2JAK1PIK3CDPIK3CGPIK3CA
SCHEMBL16718807 0.87 JAK2 (0.45) JAK2JAK1PIK3CDPIK3CGPIK3CA
SCHEMBL16729326 0.81 JAK2 (0.44) JAK2JAK1PIK3CDPIK3CGPIK3CA
SCHEMBL16729327 0.79 KDM4E (0.47) JAK2JAK1PIK3CDPIK3CGPIK3CA
SCHEMBL16729253 0.77 JAK2 (0.46) JAK2JAK1PIK3CDPIK3CGPIK3CA
SCHEMBL17657815 0.76 PIK3CG (0.49) JAK2JAK1PIK3CDPIK3CGPIK3CA
SCHEMBL16718875 0.75 KDM4E (0.44) JAK2JAK1PIK3CDPIK3CGPIK3CA
SCHEMBL16729255 0.74 ACKR3 (0.46) JAK2JAK1PIK3CDPIK3CGPIK3CA
SCHEMBL16729338 0.74 ACKR3 (0.46) JAK2JAK1PIK3CDPIK3CGPIK3CA
SCHEMBL16729336 0.74 ACKR3 (0.46) JAK2JAK1PIK3CDPIK3CGPIK3CA

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 2 patents. 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
WO-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 — — WO disclosed
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