SCHEMBL16769708

SCHEMBL16769708

Cc1c(N2c3ccccc3N(C)[C@H]2C)cncc1N1c2ccccc2N(C)[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PDGFRB P09619 1/20 0.34
▸ GPR3 P46089 1/20 0.33

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
SCHEMBL21953452 0.86 KDM4E (0.33) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL16420322 0.85 KDM4E (0.47) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL17014632 0.83 FLT3 (0.37) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL17169564 0.83 FLT3 (0.37) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL16420323 0.82 KDM4E (0.40) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL17014634 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL12349376 0.80 KDM4E (0.36) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL17014635 0.80 KDM4E (0.36) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL23131266 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL19258293 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHPGDALOX12

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
US-20150155501-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-06-04 — — US disclosed
US-20150155501-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-06-04 — — US disclosed
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