SCHEMBL13944362

SCHEMBL13944362

COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2cnn3C)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.63
▸ HTR2C P28335 6/20 0.62
▸ CCNE1 P24864 3/20 0.61
▸ CDK2 P24941 3/20 0.61
▸ BCDIN3D Q7Z5W3 2/20 0.61
▸ PDE5A O76074 1/20 0.53
▸ HRH1 P35367 1/20 0.52
▸ PIK3CA P42336 3/20 0.52
▸ PDE2A O00408 1/20 0.51
▸ CCNE2 O96020 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
SCHEMBL13947039 0.93 BCDIN3D (0.62) HRH4HTR2CCCNE1CDK2BCDIN3D
SCHEMBL13943315 0.90 PIK3CA (0.63) HRH4HTR2CCCNE1CDK2BCDIN3D
SCHEMBL13947132 0.88 HTR2C (0.59) HRH4HTR2CPDE5AHRH1PDE2A
SCHEMBL13944729 0.87 HTR2C (0.72) HRH4HTR2CPDE5APDE2A
SCHEMBL13946820 0.87 HTR2C (0.70) HRH4HTR2CPDE5AHRH1PDE2A
SCHEMBL23579669 0.83 HTR2C (0.53) HRH4HTR2CBCDIN3DPDE5AHRH1
SCHEMBL30034965 0.83 HTR2C (0.53) HRH4HTR2CBCDIN3DPDE5AHRH1
SCHEMBL13946800 0.82 HTR2C (0.60) HRH4HTR2CBCDIN3DPDE5APIK3CA
SCHEMBL13943714 0.80 HTR2C (0.58) HRH4HTR2CBCDIN3DPDE5AHRH1
SCHEMBL13943266 0.80 HTR2C (0.58) HRH4HTR2CBCDIN3DHRH1PIK3CA

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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