SCHEMBL5821024

SCHEMBL5821024

Nc1nc(Cl)cc(N2CCCC(Nn3ncc4ccccc43)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.42
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
AURKB Q96GD4 1/20 0.37
BTK Q06187 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
SCHEMBL30834121 0.72 HRH4 (0.41) HRH4LMNA
SCHEMBL27201412 0.72 HRH4 (0.41) HRH4LMNA
SCHEMBL27201344 0.69 NUDT1 (0.53) HRH4
SCHEMBL30885265 0.69 NUDT1 (0.53) HRH4
SCHEMBL1317810 0.67 AURKA (0.63) KMT2ALMNAAURKAPDPK1AURKB
SCHEMBL3720386 0.67 AURKA (0.63) KMT2ALMNAAURKAPDPK1AURKB
SCHEMBL16977369 0.67 AURKA (0.63) LMNAAURKAPDPK1AURKBBTK
SCHEMBL12118769 0.67 AURKA (0.63) LMNAAURKAPDPK1AURKBBTK
SCHEMBL1318722 0.67 AURKA (0.63) KMT2ALMNAAURKAPDPK1AURKB
SCHEMBL1317503 0.67 PDPK1 (0.61) LMNAAURKAPDPK1AURKBBTK

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-2006135383-A2 INDAZOLES MYRIAD GENETICS, INC. (US) 2006-12-21 WO disclosed