SCHEMBL214569

SCHEMBL214569

Cc1ccc(C)c(-n2cnc(C(N)=O)c2C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HCAR1 Q9BXC0 2/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PABPC1 P11940 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
SCHEMBL215765 0.82 PI4KA (0.43) ALDH1A1HCAR1MEN1KMT2AHSD17B10
SCHEMBL213975 0.76 KMT2A (0.42) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL213700 0.74 SORT1 (0.46) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL215824 0.71 RAB9A (0.41) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL213156 0.71 LMNA (0.46) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL217145 0.71 SMN1; SMN2 (0.39) HCAR1MEN1KMT2AHSD17B10POLB
SCHEMBL215228 0.70 SCN9A (0.44) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL215860 0.70 MEN1 (0.38) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL13481029 0.69 FGFR1 (0.50) ALDH1A1HCAR1MEN1KMT2AHSD17B10
SCHEMBL214745 0.69 KMT2A (0.41) ALDH1A1MEN1KMT2AHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed