SCHEMBL458258

SCHEMBL458258

CC(C)(O)CNc1cc(-c2ccccc2)nn2c(-c3ccc(C=O)cc3)cnc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.51
FYN P06241 12/20 0.40
PIM1 P11309 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
CAMK2D Q13557 1/20 0.35

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
SCHEMBL469993 0.91 FYN (0.49) TTKFYNPIM1
SCHEMBL10279704 0.91 TTK (0.46) TTKFYN
SCHEMBL10279503 0.85 TTK (0.50) TTKFYNPIM1
SCHEMBL457727 0.85 TTK (0.44) TTKFYNPIM1
SCHEMBL456541 0.83 TTK (0.46) TTKFYNPIM1
SCHEMBL456264 0.81 TTK (0.51) TTKFYNPIM1
SCHEMBL12466960 0.81 TTK (0.79) TTK
SCHEMBL454908 0.79 TTK (0.63) TTK
SCHEMBL456226 0.78 TTK (0.41) TTKFYNPIM1
SCHEMBL470024 0.78 TTK (0.43) TTKFYNPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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