SCHEMBL398322

SCHEMBL398322

CC(C)Oc1nncc2cc(-c3cc(C(N)=O)ccc3Cl)ccc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.57
KIT P10721 4/20 0.57
KDR P35968 3/20 0.57
MAPK9 P45984 3/20 0.57
LCK P06239 2/20 0.57
LYN P07948 1/20 0.47
MAPK10 P53779 1/20 0.47
RORC P51449 8/20 0.44
AR P10275 4/20 0.37
PARP10 Q53GL7 1/20 0.36
FGFR4 P22455 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL2955295 0.88 MAPK14 (0.71) MAPK14KITKDRMAPK9LCK
SCHEMBL395635 0.88 MAPK14 (0.62) MAPK14KITKDRMAPK9LCK
SCHEMBL393368 0.81 MAPK14 (0.46) MAPK14KITKDRMAPK9LCK
SCHEMBL4575830 0.80 MAPK14 (0.52) MAPK14KITKDRMAPK9LCK
SCHEMBL2954047 0.79 MAPK14 (0.59) MAPK14KITKDRMAPK9LCK
SCHEMBL2952626 0.79 MAPK14 (0.59) MAPK14KITKDRMAPK9LCK
SCHEMBL396376 0.78 MAPK14 (0.73) MAPK14KITKDRMAPK9LCK
SCHEMBL393973 0.78 MAPK14 (0.73) MAPK14KITKDRMAPK9LCK
SCHEMBL2954718 0.76 MAPK14 (0.56) MAPK14KITKDRMAPK9LCK
SCHEMBL2952034 0.73 MAPK14 (0.49) MAPK14KITKDRMAPK9LCK

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