SCHEMBL4053469

SCHEMBL4053469

CC(Oc1ccc2ncc(-c3ccc(CC#N)cc3)n2n1)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.39
IKBKB O14920 5/20 0.38
FYN P06241 3/20 0.37
FLT3 P36888 3/20 0.36
DYRK3 O43781 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CYP3A4 P08684 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
NTRK1 P04629 2/20 0.35
NTRK3 Q16288 2/20 0.35
NTRK2 Q16620 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
JAK2 O60674 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
SCHEMBL3868645 0.86 MKNK1 (0.42) MKNK1IKBKBFYNDYRK3DYRK1A
SCHEMBL3869120 0.86 MKNK1 (0.42) MKNK1IKBKBFLT3DYRK3DYRK1A
SCHEMBL3872000 0.86 FYN (0.43) MKNK1IKBKBFYNDYRK3DYRK1A
SCHEMBL3865962 0.85 MKNK1 (0.47) MKNK1IKBKBFYNDYRK3DYRK1A
SCHEMBL3868140 0.84 MKNK1 (0.41) MKNK1IKBKBFYNDYRK3DYRK1A
SCHEMBL3865838 0.83 PIM1 (0.41) MKNK1IKBKBFYNDYRK3DYRK1A
SCHEMBL3866139 0.83 PIM1 (0.50) MKNK1DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3871648 0.83 IKBKB (0.40) MKNK1IKBKBFYNDYRK3DYRK1A
SCHEMBL3864200 0.82 PIM1 (0.46) DYRK3DYRK1ADYRK2DYRK1BCCNA2
SCHEMBL3871531 0.81 MKNK1 (0.42) MKNK1IKBKBDYRK3DYRK1ADYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044071-A1 OOXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-08 EP claimed
WO-2007147646-A1 OXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed