SCHEMBL13943727

SCHEMBL13943727

Cn1ncc2c(Nc3ccc(F)cc3)nc(NC3CCCCC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 1.00
▸ SHMT2 P34897 1/20 0.77
▸ HTR2A P28223 2/20 0.61
▸ BCDIN3D Q7Z5W3 4/20 0.59
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL13943729 0.99 HTR2C (0.98) HTR2CSHMT2HTR2ABCDIN3DKDM4E
SCHEMBL13942962 0.90 HTR2C (0.82) HTR2CSHMT2HTR2ABCDIN3DKDM4E
SCHEMBL13942971 0.89 HTR2C (0.80) HTR2CSHMT2BCDIN3DKDM4EMEN1
SCHEMBL13944735 0.88 SHMT2 (0.98) HTR2CSHMT2BCDIN3DKDM4EMEN1
SCHEMBL13944738 0.87 SHMT2 (1.00) HTR2CSHMT2BCDIN3DKDM4EMEN1
SCHEMBL13946814 0.86 SHMT2 (0.78) HTR2CSHMT2BCDIN3DKDM4EMEN1
SCHEMBL13943259 0.85 HTR2C (0.74) HTR2CSHMT2BCDIN3DKDM4EMEN1
SCHEMBL13943679 0.82 HTR2C (0.69) HTR2CSHMT2BCDIN3DKDM4EMEN1
SCHEMBL13947564 0.81 SHMT2 (0.78) HTR2CSHMT2BCDIN3D
SCHEMBL13943690 0.81 HTR2C (0.69) HTR2CSHMT2BCDIN3DKDM4EALDH1A1

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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