SCHEMBL396791

SCHEMBL396791

Cc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(-c3ccc(S(C)(=O)=O)cc3C)nncc2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.51
KIT P10721 9/20 0.51
MAPK9 P45984 6/20 0.51
MAPK10 P53779 2/20 0.51
KDR P35968 8/20 0.47
LCK P06239 6/20 0.47
LYN P07948 1/20 0.38
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
ABL1 P00519 2/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL396555 0.88 MAPK14 (0.65) MAPK14KITMAPK9MAPK10KDR
SCHEMBL396663 0.84 MAPK14 (0.55) MAPK14KITMAPK9MAPK10KDR
SCHEMBL395919 0.82 MAPK14 (0.49) MAPK14KITMAPK9MAPK10KDR
SCHEMBL395390 0.82 MAPK14 (0.48) MAPK14KITMAPK9MAPK10KDR
SCHEMBL2945930 0.81 MAPK14 (0.53) MAPK14KITMAPK9MAPK10KDR
SCHEMBL2952584 0.81 MAPK14 (0.76) MAPK14KITMAPK9MAPK10KDR
SCHEMBL395816 0.80 MAPK14 (0.47) MAPK14KITMAPK9MAPK10KDR
SCHEMBL397085 0.79 MAPK14 (0.49) MAPK14KITMAPK9MAPK10KDR
SCHEMBL397566 0.79 MAPK14 (0.46) MAPK14KITMAPK9MAPK10KDR
SCHEMBL396067 0.78 MAPK14 (0.66) MAPK14KITMAPK9MAPK10KDR

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
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US claimed
EP-2077998-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2011-03-09 EP disclosed