SCHEMBL4063948

SCHEMBL4063948

Cc1ccccc1Nc1nc(NCc2ccccc2Cl)nc2c1cnn2C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MAPT P10636 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
PDE2A O00408 1/20 0.64
HTR2C P28335 2/20 0.56
MEN1 O00255 5/20 0.55
TP53 P04637 3/20 0.53
ATM Q13315 1/20 0.52
SYK P43405 1/20 0.51
HCRTR1 O43613 1/20 0.50
BCDIN3D Q7Z5W3 5/20 0.49
PLK4 O00444 1/20 0.49

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
SCHEMBL13947360 0.91 TP53 (0.62) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL13943740 0.86 HTR2C (0.66) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL13942975 0.84 HTR2C (0.71) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL3949781 0.84 HTR2C (0.66) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL13942981 0.84 HTR2C (0.74) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL13947363 0.84 PDE2A (0.75) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL13942968 0.83 HTR2C (0.70) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL4053549 0.82 KMT2A (0.66) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL13947562 0.82 PDE2A (0.77) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL13947205 0.82 SHMT2 (0.67) KMT2AMAPTKDM4EALDH1A1NPSR1

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
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