SCHEMBL13944367

SCHEMBL13944367

CNc1nc(Nc2cccc(P)c2)c2cnn(C)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPT P10636 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPK1 P28482 2/20 0.64
CYP1A2 P05177 1/20 0.64
POLB P06746 1/20 0.64
HSP90AA1 P07900 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
CYP2C19 P33261 1/20 0.64
HSD17B10 Q99714 1/20 0.64
HCRTR1 O43613 1/20 0.64
SHMT2 P34897 2/20 0.61
BCDIN3D Q7Z5W3 10/20 0.55
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TP53 P04637 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
SCHEMBL13943721 0.87 MEN1 (0.68) HTR2CMEN1KMT2AMAPTKDM4E
SCHEMBL13944369 0.85 MEN1 (0.67) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL13942963 0.85 HTR2C (0.78) HTR2CMEN1KMT2AMAPTKDM4E
SCHEMBL13947040 0.82 BCDIN3D (0.56) HTR2CMEN1KMT2AMAPTKDM4E
SCHEMBL13947569 0.79 BCDIN3D (0.55) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL13944190 0.79 HTR2C (1.00) HTR2CMEN1KMT2AMAPTKDM4E
SCHEMBL13100664 0.78 KMT2A (1.00) HTR2CMEN1KMT2AMAPTKDM4E
SCHEMBL13946812 0.76 HTR2C (0.70) HTR2CMEN1KMT2AMAPTKDM4E
SCHEMBL13947044 0.76 HTR2C (0.70) HTR2CMEN1KMT2AMAPTKDM4E
SCHEMBL13943273 0.76 KDM4E (0.71) HTR2CMEN1KMT2AMAPTKDM4E

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