SCHEMBL456539

SCHEMBL456539

CC(C)CNc1cc(-c2ccccc2)nn2c(-c3ccc4c(N)n[nH]c4c3)cnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.57
JAK2 O60674 1/20 0.43
PDPK1 O15530 8/20 0.43
AURKA O14965 6/20 0.43
TGFBR1 P36897 6/20 0.43
AURKB Q96GD4 6/20 0.43
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KDR P35968 2/20 0.39
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL455975 0.76 TTK (0.57) TTKKDRPIK3CDABL1EGFR
SCHEMBL470209 0.72 TTK (0.56) TTKFYNMKNK1ERN1
SCHEMBL10279497 0.72 TTK (1.00) TTK
SCHEMBL463165 0.71 TTK (0.98) TTK
SCHEMBL459155 0.70 TTK (0.56) TTKFYNMKNK1
SCHEMBL470122 0.67 TTK (0.93) TTK
SCHEMBL470005 0.67 TTK (0.56) TTKFYNMKNK1
SCHEMBL458383 0.67 TTK (0.55) TTKMKNK1
SCHEMBL10279493 0.66 TTK (0.76) TTK
SCHEMBL10279095 0.66 TTK (0.89) TTK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP claimed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO claimed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed