SCHEMBL13942977

SCHEMBL13942977

CN1CCN(c2nc(NCc3ccccc3Cl)c3cnn(C)c3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.69
▸ HTR2C P28335 8/20 0.62
▸ HRH4 Q9H3N8 5/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ PDE5A O76074 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ ATAD2 Q6PL18 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ HRH1 P35367 2/20 0.48
▸ HTR6 P50406 1/20 0.47

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
SCHEMBL13942987 0.91 PDE2A (0.66) PDE2AHTR2CTP53
SCHEMBL13943722 0.90 PDE2A (0.67) PDE2AHTR2CPDE5ATP53
SCHEMBL13943712 0.89 PDE2A (0.63) PDE2AHTR2CTP53
SCHEMBL13946800 0.86 HTR2C (0.60) PDE2AHTR2CHRH4PDE5AATAD2
SCHEMBL13946820 0.85 HTR2C (0.70) PDE2AHTR2CHRH4PDE5AHTR3A
SCHEMBL13943321 0.81 TP53 (0.65) PDE2AHTR2CHRH4TP53HRH1
SCHEMBL13947132 0.80 HTR2C (0.59) PDE2AHTR2CHRH4PDE5AHTR3A
SCHEMBL13943327 0.80 TP53 (0.60) PDE2AHTR2CHRH4PDE5AATAD2
SCHEMBL13943310 0.79 HTR2C (0.65) PDE2AHTR2CHRH4PDE5AHTR3A
SCHEMBL13947562 0.79 PDE2A (0.77) PDE2AHTR2CTP53

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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