SCHEMBL13943690

SCHEMBL13943690

Cc1ccccc1Nc1nc(NC2CCCCC2)nc2c1cnn2C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.69
▸ SHMT2 P34897 1/20 0.63
▸ AXL P30530 1/20 0.55
▸ MERTK Q12866 1/20 0.55
▸ BCDIN3D Q7Z5W3 10/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ NPY5R Q15761 1/20 0.46
▸ KHK P50053 1/20 0.45

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
SCHEMBL13942964 0.99 HTR2C (0.67) HTR2CSHMT2AXLMERTKBCDIN3D
SCHEMBL13942990 0.89 HTR2C (0.65) HTR2CSHMT2AXLMERTKBCDIN3D
SCHEMBL13944197 0.85 HTR2C (0.61) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13942962 0.82 HTR2C (0.82) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943748 0.82 TP53 (0.61) HTR2CSHMT2BCDIN3DTP53
SCHEMBL13943259 0.82 HTR2C (0.74) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943727 0.81 HTR2C (1.00) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL3950710 0.81 HTR2C (0.63) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943679 0.81 HTR2C (0.69) HTR2CSHMT2BCDIN3DKMT2AKDM4E
SCHEMBL13943729 0.80 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 2 patents. 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
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
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