SCHEMBL14537084

SCHEMBL14537084

Nn1cc(-c2cnc3c(Nc4ccc5c(c4)CNCC5)nccn23)cn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.46
▸ TYRO3 Q06418 17/20 0.45
▸ MERTK Q12866 17/20 0.45
▸ AXL P30530 16/20 0.45
▸ AURKB Q96GD4 2/20 0.43

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
SCHEMBL8240279 0.90 AURKA (0.58) AURKATYRO3MERTKAXLAURKB
SCHEMBL14530385 0.84 AURKA (0.45) AURKAAURKB
SCHEMBL14536795 0.79 MAPKAPK5 (0.54) AURKAAURKB
SCHEMBL13954861 0.79 AURKB (0.56) AURKAAURKB
SCHEMBL14537040 0.79 AURKA (0.48) AURKAAURKB
SCHEMBL14536762 0.78 AURKA (0.45) AURKAAURKB
SCHEMBL14536959 0.78 TTK (0.54) AURKAAURKB
SCHEMBL14530182 0.78 AURKA (0.53) AURKAAURKB
SCHEMBL14537044 0.77 AURKA (0.45) AURKAAURKB
SCHEMBL8426888 0.77 AURKA (0.58) AURKATYRO3MERTKAXLAURKB

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
Send feedback