SCHEMBL470024

SCHEMBL470024

CC(C)(O)CNc1cc(Oc2cccc(F)c2)nn2c(-c3ccc(C=O)cc3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 11/20 0.43
PIM1 P11309 3/20 0.41
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NTRK1 P04629 2/20 0.35
NTRK3 Q16288 2/20 0.35
NTRK2 Q16620 2/20 0.35
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
FYN P06241 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL10279503 0.91 TTK (0.50) TTKPIM1ALDH1A1FYN
SCHEMBL470017 0.84 TTK (0.46) TTKPIM1NTRK1NTRK3NTRK2
SCHEMBL457144 0.82 TTK (0.52) TTK
SCHEMBL456226 0.82 TTK (0.41) TTKPIM1NTRK1NTRK3NTRK2
SCHEMBL469993 0.81 FYN (0.49) TTKPIM1FYN
SCHEMBL456967 0.80 TTK (0.63) TTK
SCHEMBL458258 0.78 TTK (0.51) TTKPIM1FYN
SCHEMBL10279704 0.75 TTK (0.46) TTKFYN
SCHEMBL457727 0.75 TTK (0.44) TTKPIM1DYRK1ADYRK2DYRK1B
SCHEMBL15556221 0.74 TTK (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed