SCHEMBL13944188

SCHEMBL13944188

CC1CCN(c2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)CC1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 16/20 0.82
▸ PIK3CA P42336 1/20 0.55
▸ HTR2A P28223 2/20 0.53
▸ BCDIN3D Q7Z5W3 1/20 0.52
▸ GAA P10253 1/20 0.51

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
SCHEMBL3761574 0.90 HTR2C (1.00) HTR2CPIK3CAHTR2A
SCHEMBL13946787 0.89 HTR2C (0.82) HTR2CPIK3CAHTR2A
SCHEMBL2861107 0.89 HTR2C (0.85) HTR2CPIK3CAHTR2ABCDIN3DGAA
SCHEMBL13944194 0.84 HTR2C (0.80) HTR2CPIK3CAHTR2ABCDIN3D
SCHEMBL13947037 0.84 HTR2C (0.80) HTR2CHTR2ABCDIN3D
SCHEMBL13946812 0.81 HTR2C (0.70) HTR2CPIK3CA
SCHEMBL13943286 0.81 HTR2C (0.85) HTR2CHTR2ABCDIN3D
SCHEMBL13944736 0.80 PIK3CA (0.84) HTR2CPIK3CAHTR2A
SCHEMBL2805981 0.78 HTR2C (0.98) HTR2CPIK3CAHTR2A
SCHEMBL13942984 0.78 HTR2C (0.82) HTR2CPIK3CA

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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