SCHEMBL13943327

SCHEMBL13943327

CCN1CCN(c2nc(NCc3ccccc3C)c3cnn(C)c3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.60
▸ HTR2C P28335 13/20 0.52
▸ PDE2A O00408 1/20 0.50
▸ KMT2A Q03164 1/20 0.43
▸ ATAD2 Q6PL18 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ HRH4 Q9H3N8 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
SCHEMBL13946789 0.91 TP53 (0.59) TP53HTR2CPDE2AATAD2PIK3CA
SCHEMBL13943321 0.90 TP53 (0.65) TP53HTR2CPDE2APIK3CAHRH4
SCHEMBL13943310 0.89 HTR2C (0.65) TP53HTR2CPDE2AKMT2APDE5A
SCHEMBL13942987 0.89 PDE2A (0.66) TP53HTR2CPDE2AKMT2A
SCHEMBL13943298 0.87 HTR2C (0.61) HTR2CPDE2APDE5AHRH4
SCHEMBL13943704 0.85 HTR2C (0.60) TP53HTR2CPIK3CA
SCHEMBL13944749 0.84 TP53 (0.56) TP53HTR2CPDE2APIK3CA
SCHEMBL13946796 0.81 HTR2C (0.58) HTR2CKMT2APIK3CA
SCHEMBL13947041 0.81 HTR2C (0.62) TP53HTR2CPDE2AHRH4
SCHEMBL13947035 0.81 PDE2A (0.64) TP53HTR2CPDE2AHRH4

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 2 patents. 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
EP-2025678-A1 Pyrazolo[3,4-d]pyrimidine compounds and their use as modulators of protein kinase Oncalis AG (CH) 2009-02-18 — — EP disclosed
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