Cyclopropane Carboxylic Acid

Cyclopropane Carboxylic Acid

SCHEMBL1557568

CC(C)(C#N)c1ccc(-c2nc3ccc(-c4cncc(NC(=O)C5CC5)c4)cc3c3cn[nH]c23)cc1.O=C(O)C1CC1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 7/20 0.45
▸ CLK3 P49761 6/20 0.45
▸ DYRK1A Q13627 6/20 0.45
▸ WNT1 P04628 11/20 0.40
▸ MTOR P42345 1/20 0.39
▸ MAP4K1 Q92918 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
SCHEMBL1558652 0.88 MTOR (0.46) CLK2CLK3DYRK1AWNT1MTOR
SCHEMBL1557471 0.87 CLK2 (0.44) CLK2CLK3DYRK1AWNT1MTOR
Cyclopropane Carboxylic Acid SCHEMBL1557567 0.83 CLK2 (0.48) CLK2CLK3DYRK1AWNT1MTOR
SCHEMBL1558238 0.82 PIK3CA (0.41) CLK2DYRK1AMTOR
SCHEMBL1558752 0.81 DYRK1A (0.43) CLK2CLK3DYRK1AWNT1MTOR
SCHEMBL1558766 0.80 CDK7 (0.47) DYRK1AMTOR
SCHEMBL1559107 0.79 MTOR (0.46) DYRK1AMTOR
SCHEMBL1559035 0.79 MTOR (0.36) DYRK1AMTOR
SCHEMBL1558686 0.78 XDH (0.47) DYRK1AWNT1MTOR
SCHEMBL1559352 0.78 DDR2 (0.50) MTOR

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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