SCHEMBL4053549

SCHEMBL4053549

CCCNc1nc(Nc2ccccc2C)c2cnn(C)c2n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
HTR2C P28335 2/20 0.64
TP53 P04637 2/20 0.59
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
BCDIN3D Q7Z5W3 4/20 0.53
ATM Q13315 1/20 0.53
SLC2A1 P11166 2/20 0.53
SYK P43405 1/20 0.52
SHMT2 P34897 1/20 0.51

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
SCHEMBL4053566 0.93 KMT2A (0.67) KMT2AMEN1HTR2CTP53MAPT
SCHEMBL3949781 0.91 HTR2C (0.66) KMT2AMEN1HTR2CTP53MAPT
SCHEMBL13943692 0.90 KMT2A (0.66) KMT2AMEN1HTR2CTP53MAPT
SCHEMBL13943251 0.88 HTR2C (0.64) KMT2AMEN1HTR2CTP53MAPT
SCHEMBL4054590 0.88 BCDIN3D (0.60) KMT2AMEN1HTR2CTP53MAPT
SCHEMBL13943695 0.88 SYK (0.67) KMT2AMEN1HTR2CTP53MAPT
SCHEMBL13947360 0.86 TP53 (0.62) KMT2AMEN1HTR2CTP53MAPT
SCHEMBL13942975 0.86 HTR2C (0.71) KMT2AHTR2CTP53MAPTKDM4E
SCHEMBL13943694 0.86 SHMT2 (0.68) KMT2AMEN1HTR2CTP53MAPT
SCHEMBL13943313 0.86 KMT2A (0.68) KMT2AMEN1TP53MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2025678-A1 Pyrazolo[3,4-d]pyrimidine compounds and their use as modulators of protein kinase Oncalis AG (CH) 2009-02-18 EP claimed
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