SCHEMBL13943679

SCHEMBL13943679

Cc1cccc(Nc2nc(NC3CCCC3)nc3c2cnn3C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.69
▸ SHMT2 P34897 1/20 0.67
▸ KDM4E B2RXH2 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ BCDIN3D Q7Z5W3 10/20 0.50
▸ HCRTR1 O43613 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ NPY5R Q15761 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
SCHEMBL13943713 0.89 KMT2A (0.74) HTR2CSHMT2KDM4EMEN1KMT2A
SCHEMBL13942962 0.87 HTR2C (0.82) HTR2CSHMT2KDM4EMEN1KMT2A
SCHEMBL13947564 0.87 SHMT2 (0.78) HTR2CSHMT2BCDIN3DPIK3CA
SCHEMBL13943259 0.86 HTR2C (0.74) HTR2CSHMT2KDM4EMEN1KMT2A
SCHEMBL13943721 0.83 MEN1 (0.68) HTR2CSHMT2KDM4EMEN1KMT2A
SCHEMBL13943729 0.83 HTR2C (0.98) HTR2CSHMT2KDM4EMEN1KMT2A
SCHEMBL13942990 0.82 HTR2C (0.65) HTR2CSHMT2KDM4EMEN1KMT2A
SCHEMBL13943273 0.82 KDM4E (0.71) HTR2CSHMT2KDM4EMEN1KMT2A
SCHEMBL13942964 0.82 HTR2C (0.67) HTR2CSHMT2KDM4EMEN1KMT2A
SCHEMBL13943727 0.82 HTR2C (1.00) HTR2CSHMT2KDM4EMEN1KMT2A

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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