SCHEMBL14536754

SCHEMBL14536754

Nn1cc(-c2cnc3c(Nc4cccn5ncnc45)nccn23)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.42
▸ AURKB Q96GD4 6/20 0.42
▸ TTK P33981 6/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32

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
SCHEMBL8247408 0.88 AURKA (0.56) AURKAAURKBTTKALDH1A1HTT
SCHEMBL14536959 0.80 TTK (0.54) AURKAAURKBTTK
SCHEMBL13954989 0.79 PRMT5 (0.33) AURKAAURKBALDH1A1HTTKDM4E
SCHEMBL14536834 0.78 AURKA (0.41) AURKAAURKBTTK
SCHEMBL14538587 0.78 AURKA (0.44) AURKAAURKBTTKFLT3
SCHEMBL14530182 0.78 AURKA (0.53) AURKAAURKBTTKFLT3
SCHEMBL14537007 0.78 AURKA (0.48) AURKAAURKBTTKMAP4K4
SCHEMBL14537008 0.77 AURKA (0.46) AURKAAURKBTTKFLT3
SCHEMBL13954584 0.77 AURKA (0.53) AURKAAURKBTTKFLT3
SCHEMBL14536759 0.76 AURKA (0.42) AURKAAURKBTTKFLT3

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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