SCHEMBL14536834

SCHEMBL14536834

Nn1cc(-c2cnc3c(Nc4cccc5ncccc45)nccn23)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.41
▸ AURKB Q96GD4 5/20 0.41
▸ PDE4B Q07343 2/20 0.36
▸ TTK P33981 5/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SYK P43405 3/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ CCR4 P51679 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
SCHEMBL8246844 0.88 AURKA (0.55) AURKAAURKBPDE4BTTKMEN1
SCHEMBL13954744 0.88 PDE4B (0.39) PDE4BMEN1KMT2AP2RX7CCR4
SCHEMBL14538587 0.80 AURKA (0.44) AURKAAURKBTTKMEN1KMT2A
SCHEMBL14536959 0.79 TTK (0.54) AURKAAURKBTTK
SCHEMBL14536759 0.79 AURKA (0.42) AURKAAURKBTTK
SCHEMBL14537007 0.79 AURKA (0.48) AURKAAURKBTTK
SCHEMBL14536754 0.78 AURKA (0.42) AURKAAURKBTTK
SCHEMBL14530182 0.77 AURKA (0.53) AURKAAURKBTTK
SCHEMBL14537008 0.76 AURKA (0.46) AURKAAURKBTTK
SCHEMBL13954584 0.76 AURKA (0.53) AURKAAURKBTTK

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-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
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