SCHEMBL13944372

SCHEMBL13944372

CC(C)CCNc1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.80
▸ TP53 P04637 1/20 0.80
▸ BCDIN3D Q7Z5W3 6/20 0.65
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ SHMT2 P34897 2/20 0.59
▸ ATM Q13315 1/20 0.58
▸ HTR2C P28335 4/20 0.57
▸ SYK P43405 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ HSP90AA1 P07900 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL13942957 0.88 MEN1 (0.75) MAPTTP53BCDIN3DMEN1KMT2A
SCHEMBL13947571 0.86 PDE2A (0.67) MAPTTP53BCDIN3D
SCHEMBL13944179 0.85 MEN1 (0.74) MAPTTP53BCDIN3DMEN1KMT2A
SCHEMBL13942961 0.85 SHMT2 (0.71) MAPTTP53BCDIN3DMEN1KMT2A
SCHEMBL13944346 0.83 BCDIN3D (0.66) MAPTTP53BCDIN3DMEN1KMT2A
SCHEMBL13942965 0.82 SHMT2 (0.77) MAPTTP53BCDIN3DMEN1KMT2A
SCHEMBL13942956 0.82 MAPT (0.79) MAPTTP53BCDIN3DMEN1KMT2A
SCHEMBL13944173 0.81 HTR2C (0.82) MAPTTP53BCDIN3DMEN1KMT2A
SCHEMBL13944356 0.80 TP53 (0.74) MAPTTP53BCDIN3DSHMT2HTR2C
SCHEMBL22805935 0.79 BCDIN3D (1.00) BCDIN3D

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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