SCHEMBL13954744

SCHEMBL13954744

Nn1cc(-c2cnc3c(Nc4cccc5ncccc45)cccn23)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.39
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ CCR4 P51679 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ BMPR1B O00238 1/20 0.33
▸ BMP4 P12644 1/20 0.33
▸ KDR P35968 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
SCHEMBL14536834 0.88 AURKA (0.41) PDE4BMEN1KMT2ACCR4P2RX7
SCHEMBL8246844 0.75 AURKA (0.55) PDE4BMEN1KMT2ACCR4ALDH1A1
SCHEMBL14536754 0.69 AURKA (0.42) ALDH1A1KDM4EHTT
SCHEMBL14538587 0.68 AURKA (0.44) MEN1KMT2AKDR
SCHEMBL14536759 0.68 AURKA (0.42) —
SCHEMBL14536959 0.68 TTK (0.54) —
SCHEMBL14537007 0.67 AURKA (0.48) MKNK1KDR
SCHEMBL14537008 0.66 AURKA (0.46) —
SCHEMBL14530182 0.65 AURKA (0.53) —
SCHEMBL13954584 0.65 AURKA (0.53) —

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-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 — — WO disclosed
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