SCHEMBL4777252

SCHEMBL4777252

CCOC(=O)N1C=CC=C(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
ADORA1 P30542 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IGF1R P08069 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL27463224 0.87 TSHR (0.37) MEN1KMT2AALDH1A1MAPT
SCHEMBL5697476 0.80 NR1H2 (0.41) ALDH1A1MAPT
SCHEMBL28454809 0.72 RAB9A (0.33) MEN1KMT2AALDH1A1MAPT
SCHEMBL17267601 0.70 ESR2 (0.40) MEN1KMT2AALDH1A1MAPT
SCHEMBL2585836 0.70 TSHR (0.38) MEN1KMT2AMAPT
SCHEMBL28930038 0.69 GLA (0.39) GLAADORA1CRHBPCRHR2L3MBTL1
SCHEMBL3043749 0.69 TSHR (0.37) MEN1KMT2AALDH1A1MAPT
SCHEMBL31482816 0.69 ESR2 (0.37) ADORA1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4439029 0.69 NR1H2 (0.42) ADORA1MAPT
Hydrochloric Acid SCHEMBL2582658 0.69 KMT2A (0.38) MEN1KMT2AMAPT

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