SCHEMBL13942990

SCHEMBL13942990

Cc1ccc(Nc2nc(NC3CCCCC3)nc3c2cnn3C)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.65
▸ SHMT2 P34897 1/20 0.60
▸ BCDIN3D Q7Z5W3 9/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ AXL P30530 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ TP53 P04637 2/20 0.42

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
SCHEMBL13944197 0.89 HTR2C (0.61) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943690 0.89 HTR2C (0.69) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13942964 0.87 HTR2C (0.67) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13942962 0.84 HTR2C (0.82) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943270 0.82 KMT2A (0.61) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943679 0.82 HTR2C (0.69) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943259 0.81 HTR2C (0.74) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943252 0.80 KMT2A (0.64) HTR2CBCDIN3DKMT2AKDM4EALDH1A1
SCHEMBL13943727 0.79 HTR2C (1.00) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943729 0.78 HTR2C (0.98) HTR2CSHMT2BCDIN3DKMT2AKDM4E

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
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