SCHEMBL13944735

SCHEMBL13944735

COc1ccc(Nc2nc(NC3CCCCC3)nc3c2cnn3C)cc1

nearest known ligand 0.98

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 7/20 0.98
▸ HTR2C P28335 3/20 0.79
▸ BCDIN3D Q7Z5W3 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ CTSL P07711 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ MERTK Q12866 1/20 0.52
▸ GALR2 O43603 3/20 0.51
▸ GALR1 P47211 3/20 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
SCHEMBL13944738 0.99 SHMT2 (1.00) SHMT2HTR2CBCDIN3DKDM4EMEN1
SCHEMBL13946814 0.89 SHMT2 (0.78) SHMT2HTR2CBCDIN3DKDM4EMEN1
SCHEMBL13943727 0.88 HTR2C (1.00) SHMT2HTR2CBCDIN3DKDM4EMEN1
SCHEMBL13942962 0.87 HTR2C (0.82) SHMT2HTR2CBCDIN3DKDM4EMEN1
SCHEMBL13943729 0.87 HTR2C (0.98) SHMT2HTR2CBCDIN3DKDM4EMEN1
SCHEMBL13947564 0.87 SHMT2 (0.78) SHMT2HTR2CBCDIN3DGALR2GALR1
SCHEMBL13942971 0.86 HTR2C (0.80) SHMT2HTR2CBCDIN3DKDM4EMEN1
SCHEMBL13943311 0.82 SHMT2 (1.00) SHMT2HTR2CBCDIN3DKDM4EMEN1
SCHEMBL13943259 0.82 HTR2C (0.74) SHMT2HTR2CBCDIN3DKDM4EMEN1
SCHEMBL13942983 0.80 SHMT2 (0.78) SHMT2HTR2CBCDIN3DKDM4EMEN1

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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