SCHEMBL3839412

SCHEMBL3839412

O=C1NCc2c(I)cc(O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.44
▸ PIK3CB P42338 7/20 0.44
▸ PIK3CA P42336 6/20 0.44
▸ ROCK2 O75116 5/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ PIK3CG P48736 4/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ WEE1 P30291 1/20 0.35
▸ PRKCA P17252 2/20 0.33
▸ MAP3K5 Q99683 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL29222690 0.78 CLK4 (0.44) PIK3CDPIK3CBPIK3CAROCK2PIM1
SCHEMBL23735699 0.78 PIK3CD (0.44) PIK3CDPIK3CBPIK3CAROCK2PIM1
SCHEMBL1334392 0.78 CLK4 (0.53) PIK3CDPIK3CBPIK3CAROCK2PIM1
SCHEMBL29866887 0.78 CLK4 (0.44) PIK3CDPIK3CBPIK3CAROCK2PIM1
SCHEMBL27086111 0.74 PIK3CD (0.44) PIK3CDPIK3CBPIK3CAROCK2PIM1
SCHEMBL20315040 0.74 HSP90AB1 (0.42) PIK3CDPIK3CBPIK3CAROCK2PIM1
SCHEMBL30825344 0.74 PIK3CD (0.44) PIK3CDPIK3CBPIK3CAROCK2PIM1
SCHEMBL3835742 0.70 AURKA (0.37) PIK3CDPIK3CBPIK3CAROCK2PIM1
SCHEMBL4499446 0.69 NTRK2 (0.56) CLK4DYRK1BCA12CA9MST1R
SCHEMBL29584703 0.69 NTRK2 (0.56) CLK4DYRK1BCA12CA9MST1R

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 — — EP disclosed
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