SCHEMBL14537040

SCHEMBL14537040

Nn1cc(-c2cnc3c(Nc4ccc5ccccc5c4)nccn23)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.48
▸ AURKB Q96GD4 6/20 0.44
▸ TTK P33981 2/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTK6 Q13882 1/20 0.38
▸ MAPKAPK5 Q8IW41 6/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ FYN P06241 1/20 0.37

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
SCHEMBL8240162 0.88 AURKA (0.62) AURKAAURKBTTKNPC1MAPT
SCHEMBL14536959 0.87 TTK (0.54) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14536853 0.84 AURKA (0.46) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL14537044 0.84 AURKA (0.45) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL14529898 0.84 TTK (0.44) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL14530182 0.82 AURKA (0.53) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14536759 0.82 AURKA (0.42) AURKAAURKBTTK
SCHEMBL14537007 0.82 AURKA (0.48) AURKAAURKBTTKMAPKAPK5MKNK1
SCHEMBL14536950 0.81 AURKA (0.44) AURKAAURKBTTKPTK6
SCHEMBL14538587 0.81 AURKA (0.44) 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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