SCHEMBL4778427

SCHEMBL4778427

CCOC(=O)c1ccc(C(=O)OC(C)(C)C)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 2/20 0.45
GABRA1 P14867 7/20 0.43
GABRG2 P18507 7/20 0.43
GABRB3 P28472 7/20 0.43
GABRA5 P31644 7/20 0.43
GABRA3 P34903 7/20 0.43
GABRA2 P47869 7/20 0.43
GABRA4 P48169 7/20 0.43
GABRA6 Q16445 7/20 0.43
GABRP O00591 6/20 0.43
GABRD O14764 6/20 0.43
GABRB1 P18505 6/20 0.43
GABRB2 P47870 6/20 0.43
GABRE P78334 6/20 0.43
GABRG1 Q8N1C3 6/20 0.43
GABRG3 Q99928 6/20 0.43
GABRQ Q9UN88 6/20 0.43

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
SCHEMBL1971939 0.88 MAPK1 (0.61) MAPK1KDM4EL3MBTL1CYP1A2GABRA1
SCHEMBL29637478 0.88 MAPK1 (0.61) MAPK1KDM4EL3MBTL1CYP1A2GABRA1
SCHEMBL27476383 0.83 MAPK1 (0.75) MAPK1KDM4EL3MBTL1GABRA1GABRG2
SCHEMBL1018980 0.83 POLB (0.47) KDM4EL3MBTL1CYP1A2GABRA1GABRG2
SCHEMBL370722 0.81 P4HTM (0.59) MAPK1KDM4EL3MBTL1CYP1A2GABRA1
SCHEMBL17668766 0.81 MAPK1 (0.68) MAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL16998556 0.81 MAPK1 (0.53) MAPK1KDM4EL3MBTL1CYP1A2GABRA1
SCHEMBL18608207 0.81 CA1 (0.63) MAPK1CYP1A2CA12CA1CA2
SCHEMBL15932872 0.81 CYP1A2 (0.44) MAPK1KDM4ECYP1A2GABRA1GABRG2
SCHEMBL11386893 0.80 MAPK1 (0.51) MAPK1KDM4EL3MBTL1CYP1A2GABRA1

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-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 EP disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed