SCHEMBL16729326

SCHEMBL16729326

Nc1nn2cccnc2c1C(=O)NC1CCCC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.44
▸ JAK1 P23458 7/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PIK3CD O00329 8/20 0.44
▸ PIK3CG P48736 8/20 0.44
▸ PIK3R2 O00459 2/20 0.44
▸ JAK3 P52333 2/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ PIK3CA P42336 6/20 0.41
▸ PIK3CB P42338 4/20 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
SCHEMBL16718883 0.85 ALDH1A1 (0.43) JAK2JAK1ALDH1A1TSHRGRM5
SCHEMBL16718807 0.82 JAK2 (0.45) JAK2JAK1ALDH1A1TSHRPIK3CD
SCHEMBL16718795 0.81 JAK2 (0.47) JAK2JAK1ALDH1A1TSHRPIK3CD
SCHEMBL16718808 0.79 ATR (0.47) JAK2JAK1ALDH1A1TSHRPIK3CD
SCHEMBL16729330 0.76 JAK3 (0.47) JAK2JAK1JAK3
SCHEMBL16729327 0.74 KDM4E (0.47) JAK2JAK1ALDH1A1TSHRPIK3CD
SCHEMBL17657815 0.73 PIK3CG (0.49) JAK2JAK1PIK3CDPIK3CGPIK3R2
SCHEMBL16718875 0.73 KDM4E (0.44) JAK2JAK1PIK3CDPIK3CGJAK3
SCHEMBL16729261 0.72 JAK2 (0.44) JAK2JAK1PIK3CDPIK3CGJAK3
SCHEMBL16729253 0.70 JAK2 (0.46) JAK2JAK1PIK3CDPIK3CGJAK3

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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