SCHEMBL7664658

SCHEMBL7664658

CCOC(=O)c1cn(-c2ccnc(NC3CCC3)n2)c(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.61
GABRA2 P47869 4/20 0.43
GABRB2 P47870 4/20 0.43
MLYCD O95822 1/20 0.42
PIM1 P11309 1/20 0.42
SYK P43405 1/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK10 P53779 3/20 0.41
BRAF P15056 1/20 0.40
CYP3A4 P08684 2/20 0.39
MAPK8 P45983 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL7566543 0.87 GABRA2 (0.48) MAPK9GABRA2GABRB2MLYCDSYK
SCHEMBL7665202 0.82 MAPK14 (0.51) MAPK9GABRA2GABRB2
SCHEMBL7661360 0.82 GABRA2 (0.45) MAPK9GABRA2GABRB2MLYCDSYK
SCHEMBL7665192 0.82 MAPK14 (0.51) MAPK9GABRA2GABRB2
SCHEMBL7534386 0.82 GABRA2 (0.48) MAPK9GABRA2GABRB2MLYCDSYK
SCHEMBL7665355 0.81 GABRA2 (0.48) MAPK9GABRA2GABRB2MLYCDSYK
SCHEMBL7665100 0.80 GABRA2 (0.45) MAPK9GABRA2GABRB2MLYCDSYK
SCHEMBL6986720 0.80 MAPK9 (0.67) MAPK9PIM1MAPTMAPK10
SCHEMBL6981902 0.78 MAPK9 (0.62) MAPK9PIM1MAPK10CYP3A4MAPK8
SCHEMBL7189430 0.77 MAPK9 (0.63) MAPK9PIM1MAPK10

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
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