SCHEMBL13943712

SCHEMBL13943712

Cn1ncc2c(NCc3ccccc3Cl)nc(N3CCN(CCO)CC3)nc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.63
▸ HTR2C P28335 7/20 0.60
▸ HTR2A P28223 5/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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 0.90 PDE2A (0.66) PDE2AHTR2CBRD4TP53
SCHEMBL13942977 0.89 PDE2A (0.69) PDE2AHTR2CTP53
SCHEMBL13943747 0.86 HTR2A (0.70) HTR2CHTR2ADRD3KDM4EALDH1A1
SCHEMBL13943722 0.85 PDE2A (0.67) PDE2AHTR2CBRD4TP53
SCHEMBL13943278 0.82 HTR2C (0.63) PDE2AHTR2CHTR2ADRD3KDM4E
SCHEMBL13944359 0.81 HTR2C (0.77) PDE2AHTR2CHTR2ADRD3TP53
SCHEMBL13943327 0.80 TP53 (0.60) PDE2AHTR2CTP53
SCHEMBL13943310 0.79 HTR2C (0.65) PDE2AHTR2CHTR2ADRD3KDM4E
SCHEMBL13946789 0.79 TP53 (0.59) PDE2AHTR2CBRD4TP53
SCHEMBL13946815 0.78 HTR2C (0.72) PDE2AHTR2CHTR2ADRD3KDM4E

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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