SCHEMBL4052174

SCHEMBL4052174

COC(=O)c1cccc(-c2cnc3ccc(OC(C)C4CCCNC4)nn23)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
PIM1 P11309 3/20 0.43
PIM2 Q9P1W9 1/20 0.43
FYN P06241 10/20 0.43
DYRK3 O43781 2/20 0.42
CCNT1 O60563 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CDK9 P50750 2/20 0.42
CDK5 Q00535 2/20 0.42
DYRK1A Q13627 2/20 0.42
CDK5R1 Q15078 2/20 0.42
DYRK2 Q92630 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
MKNK1 Q9BUB5 2/20 0.41
PDE4D Q08499 2/20 0.40

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
SCHEMBL4046562 0.92 FYN (0.53) PIM1PIM2FYN
SCHEMBL3870154 0.86 MKNK1 (0.47) PIM1FYNDYRK3CCNT1CCNA2
SCHEMBL3865962 0.86 MKNK1 (0.47) PIM1FYNDYRK3CCNT1CCNA2
SCHEMBL3869751 0.85 PIM1 (0.54) PIM1DYRK3CCNT1CCNA2CDK2
SCHEMBL3868540 0.85 PIM1 (0.47) PIM1FYNDYRK3CCNT1CCNA2
SCHEMBL3866313 0.84 DYRK3 (0.45) PIM1FYNDYRK3CCNT1CCNA2
SCHEMBL3866139 0.84 PIM1 (0.50) AKT1AKT2PIM1DYRK3CCNT1
SCHEMBL3865829 0.83 PIM1 (0.59) PIM1DYRK1A
SCHEMBL3867064 0.83 MKNK1 (0.42) PIM1FYNDYRK3CCNT1CCNA2
SCHEMBL3868645 0.81 MKNK1 (0.42) PIM1FYNDYRK3CCNT1CCNA2

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