SCHEMBL13942986

SCHEMBL13942986

Cc1cccc(CNc2nc(N3CCC(N4CCCCC4)CC3)nc3c2cnn3C)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 3/20 0.48
▸ TCF7L2 Q9NQB0 3/20 0.48
▸ HTR2C P28335 5/20 0.48
▸ PDE2A O00408 1/20 0.48
▸ PIK3CA P42336 2/20 0.47
▸ BCDIN3D Q7Z5W3 6/20 0.44
▸ EHMT2 Q96KQ7 1/20 0.42
▸ CCR4 P51679 1/20 0.41

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
SCHEMBL13944754 0.90 HTR2C (0.53) CTNNB1TCF7L2HTR2CPIK3CABCDIN3D
SCHEMBL13947574 0.90 PDE2A (0.55) HTR2CPDE2APIK3CABCDIN3D
SCHEMBL13943714 0.85 HTR2C (0.58) HTR2CPDE2APIK3CABCDIN3D
SCHEMBL13942959 0.85 PIK3CA (0.64) HTR2CPIK3CACCR4
SCHEMBL13944184 0.85 PDE2A (0.59) CTNNB1TCF7L2HTR2CPDE2ABCDIN3D
SCHEMBL13947356 0.83 PIK3CA (0.57) HTR2CPDE2APIK3CABCDIN3D
SCHEMBL13946788 0.81 PIK3CA (0.61) HTR2CPIK3CACCR4
SCHEMBL13943277 0.81 PDE2A (0.70) HTR2CPDE2APIK3CABCDIN3D
SCHEMBL13947559 0.80 NR3C1 (0.44) CTNNB1TCF7L2HTR2CPDE2APIK3CA
SCHEMBL13944174 0.80 PDE2A (0.54) HTR2CPDE2APIK3CABCDIN3D

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-2009023978-A1 PYRAZOLO [3,4 -D] PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF PROTEIN KINASE ONCALIS AG (CH) 2009-02-26 — — WO disclosed
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