SCHEMBL7566543

SCHEMBL7566543

CCOC(=O)c1cn(-c2ccnc(NC(C)(C)C)n2)c(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 8/20 0.48
GABRB2 P47870 8/20 0.48
MLYCD O95822 1/20 0.46
MAPK9 P45984 1/20 0.46
SYK P43405 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.44
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
BRAF P15056 2/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL7664658 0.87 MAPK9 (0.61) GABRA2GABRB2MLYCDMAPK9SYK
SCHEMBL7665202 0.86 MAPK14 (0.51) GABRA2GABRB2MAPK9
SCHEMBL7661360 0.86 GABRA2 (0.45) GABRA2GABRB2MLYCDMAPK9SYK
SCHEMBL7665192 0.86 MAPK14 (0.51) GABRA2GABRB2MAPK9
SCHEMBL7665355 0.85 GABRA2 (0.48) GABRA2GABRB2MLYCDMAPK9SYK
SCHEMBL7534386 0.84 GABRA2 (0.48) GABRA2GABRB2MLYCDMAPK9SYK
SCHEMBL7665100 0.84 GABRA2 (0.45) GABRA2GABRB2MLYCDMAPK9SYK
SCHEMBL7590696 0.75 MAPK14 (0.52) MAPK9FLT1FLT4KDR
SCHEMBL7590690 0.75 MAPK14 (0.52) MAPK9FLT1FLT4KDR
SCHEMBL7668093 0.73 GABRA2 (0.56) GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492516-B1 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF WHICH EXHIBIT UTILITY FOR THE TREATMENT OF CYTOKINE MEDIATED DISEASES SUCH AS ARTHRITIS. MERCK & CO., INC. 2002-12-10 US disclosed
EP-1180101-A4 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2002-08-28 EP disclosed
EP-1180101-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 2002-02-20 EP disclosed
WO-2000069848-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2000-11-23 WO disclosed