SCHEMBL4054590

SCHEMBL4054590

COCCNc1nc(Nc2ccccc2C)c2cnn(C)c2n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 6/20 0.60
SHMT2 P34897 2/20 0.59
HTR2C P28335 2/20 0.57
MAPT P10636 2/20 0.55
TP53 P04637 2/20 0.55
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 4/20 0.53
ATM Q13315 1/20 0.51
SYK P43405 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
SCHEMBL13943694 0.94 SHMT2 (0.68) BCDIN3DSHMT2HTR2CMAPTTP53
SCHEMBL4053549 0.88 KMT2A (0.66) BCDIN3DSHMT2HTR2CMAPTTP53
SCHEMBL13943692 0.87 KMT2A (0.66) BCDIN3DSHMT2HTR2CMAPTTP53
SCHEMBL4053566 0.86 KMT2A (0.67) BCDIN3DSHMT2HTR2CMAPTTP53
SCHEMBL3949781 0.85 HTR2C (0.66) BCDIN3DHTR2CMAPTTP53KMT2A
SCHEMBL13943695 0.85 SYK (0.67) BCDIN3DSHMT2HTR2CMAPTTP53
SCHEMBL13942975 0.83 HTR2C (0.71) BCDIN3DHTR2CMAPTTP53KMT2A
SCHEMBL13947360 0.83 TP53 (0.62) BCDIN3DHTR2CMAPTTP53KMT2A
SCHEMBL13943251 0.83 HTR2C (0.64) BCDIN3DSHMT2HTR2CMAPTTP53
SCHEMBL13944750 0.81 SHMT2 (0.72) BCDIN3DSHMT2HTR2CMAPTTP53

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