SCHEMBL13943722

SCHEMBL13943722

Cn1ncc2c(NCc3ccccc3Cl)nc(N3CCOCC3)nc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.67
▸ HTR2C P28335 8/20 0.57
▸ PIK3CA P42336 2/20 0.53
▸ PDE5A O76074 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ STAT6 P42226 1/20 0.45
▸ ABL1 P00519 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ BRD9 Q9H8M2 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
SCHEMBL13942977 0.90 PDE2A (0.69) PDE2AHTR2CPDE5ATP53
SCHEMBL13942987 0.87 PDE2A (0.66) PDE2AHTR2CTP53ABL1SRC
SCHEMBL13944357 0.86 PIK3CA (0.61) PDE2AHTR2CPIK3CAPDE5ATP53
SCHEMBL13943712 0.85 PDE2A (0.63) PDE2AHTR2CTP53BRD4
SCHEMBL13943288 0.82 PDE2A (0.68) PDE2AHTR2CPIK3CAPDE5APIK3CB
SCHEMBL13944721 0.80 HTR2C (0.74) PDE2AHTR2CPIK3CAPDE5ATP53
SCHEMBL13943321 0.79 TP53 (0.65) PDE2AHTR2CPIK3CATP53BRD4
SCHEMBL13947356 0.79 PIK3CA (0.57) PDE2AHTR2CPIK3CAPDE5APIK3CB
SCHEMBL13943315 0.78 PIK3CA (0.63) PDE2AHTR2CPIK3CAPDE5A
SCHEMBL13947562 0.78 PDE2A (0.77) PDE2AHTR2CTP53KMT2A

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
Send feedback