SCHEMBL1558752

SCHEMBL1558752

Cn1ncc2c3cc(-c4cncc(NC(=O)C5CC5)c4)ccc3nc(-c3ccc(C(C)(C)C#N)cc3)c21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.43
▸ CLK2 P49760 9/20 0.43
▸ CLK3 P49761 8/20 0.43
▸ DYRK1B Q9Y463 2/20 0.41
▸ KIT P10721 1/20 0.40
▸ MTOR P42345 5/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ WNT1 P04628 2/20 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
SCHEMBL1558296 0.91 MTOR (0.41) DYRK1ACLK2CLK3KITMTOR
SCHEMBL1559321 0.90 MTOR (0.45) DYRK1ACLK2CLK3MTORPIK3CD
SCHEMBL1557556 0.84 PIK3CA (0.41) DYRK1AMTORPIK3CDPIK3CAPIK3CB
SCHEMBL1558949 0.84 CCNC (0.41) DYRK1AMTORPIK3CDPIK3CAPIK3CB
SCHEMBL1559250 0.82 MTOR (0.43) DYRK1AMTORPIK3CDPIK3CAPIK3CB
Cyclopropane Carboxylic Acid SCHEMBL1557568 0.81 CLK2 (0.45) DYRK1ACLK2CLK3MTORWNT1
SCHEMBL2397709 0.81 MTOR (0.42) DYRK1ACLK2CLK3KITMTOR
SCHEMBL2397682 0.80 MTOR (0.45) DYRK1ACLK2CLK3MTORPIK3CD
SCHEMBL1559224 0.78 MTOR (0.46) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1557599 0.77 MTOR (0.42) MTORPIK3CDPIK3CAPIK3CBPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303890-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS Progenics Pharmaceuticals, Inc. (US) 2011-04-06 — — EP disclosed
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — WO disclosed
WO-2009155527-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2009-12-23 — — WO disclosed
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