Sugi Predict

Sugi Predict / Compounds / SCHEMBL4164789

SCHEMBL4164789

SCHEMBL4164789

Cc1cc(NCC2CCN(C(=O)O)CC2)ccc1-c1cc(-c2ccc3[nH]nc(C)c3c2)nc(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.39
▸ ITK Q08881 2/20 0.37
▸ GSK3B P49841 14/20 0.37
▸ PAK1 Q13153 1/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CDC7 O00311 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
SCHEMBL3345403 0.88 ITK (0.40) AXLITKPAK1DYRK1ACDC7
SCHEMBL3340007 0.79 CDC7 (0.40) ITKGSK3BDYRK1AMAPK1CDC7
SCHEMBL3345643 0.74 CDC7 (0.51) GSK3BDYRK1AMAPK1CDC7
SCHEMBL3330960 0.73 PIM1 (0.51) GSK3BPAK1DYRK1ACDC7
SCHEMBL3340582 0.73 PIM1 (0.41) GSK3BDYRK1AMAPK1CDC7
SCHEMBL3331234 0.73 PIM1 (0.50) GSK3BCDC7
SCHEMBL13305146 0.72 PIM1 (0.51) GSK3BDYRK1AMAPK1CDC7
SCHEMBL3331131 0.69 PIM1 (0.48) GSK3BCDC7
SCHEMBL5427424 0.69 CDC7 (0.61) GSK3BDYRK1AMAPK1CDC7
SCHEMBL11915765 0.66 PIM1 (0.47) GSK3BPAK1CDC7

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-2074114-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 — — WO disclosed
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