SCHEMBL5087476

SCHEMBL5087476

Cc1nc(Nc2cccc(Cl)c2)c2nc[nH]c2c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
BRAF P15056 1/20 0.49
CSNK2A1 P68400 10/20 0.48
CSNK2A2 P19784 9/20 0.48
CSNK2B P67870 9/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TOP2A P11388 1/20 0.43
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL5088070 0.87 ALDH1A1 (0.52) EGFRBRAFCSNK2A1CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL5081843 0.84 KDM4E (0.39) MEN1KMT2ACNR2
SCHEMBL5250340 0.81 TTBK1 (0.48) EGFRCSNK2A1CSNK2A2CSNK2BMEN1
Hydrochloric Acid SCHEMBL4764835 0.77 HAO1 (0.43) EGFRCSNK2A2CSNK2B
SCHEMBL16146826 0.74 BRAF (0.51) EGFRBRAFCSNK2A1CSNK2A2CSNK2B
SCHEMBL10488935 0.72 EGFR (0.54) EGFRCSNK2A1CSNK2A2CSNK2BMEN1
SCHEMBL16146884 0.72 BRAF (0.51) EGFRBRAFCSNK2A1CSNK2A2CSNK2B
SCHEMBL3001568 0.71 BRAF (0.53) EGFRBRAFMEN1KMT2A
SCHEMBL16146827 0.71 BRAF (0.73) BRAFPDPK1JAK2CDK2FLT3
SCHEMBL30523411 0.71 BRAF (0.73) BRAFPDPK1JAK2CDK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed