SCHEMBL397085

SCHEMBL397085

Cc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(NC(C)C)nncc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.49
KIT P10721 10/20 0.49
KDR P35968 8/20 0.49
LCK P06239 6/20 0.49
MAPK9 P45984 6/20 0.47
MAPK10 P53779 2/20 0.45
LYN P07948 1/20 0.44
CYP3A4 P08684 1/20 0.42
ABL1 P00519 2/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
HPGDS O60760 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
SCHEMBL395975 0.89 MAPK14 (0.52) MAPK14KITKDRLCKMAPK9
SCHEMBL395919 0.87 MAPK14 (0.49) MAPK14KITKDRLCKMAPK9
SCHEMBL395390 0.86 MAPK14 (0.48) MAPK14KITKDRLCKMAPK9
SCHEMBL396067 0.85 MAPK14 (0.66) MAPK14KITKDRLCKMAPK9
SCHEMBL395816 0.84 MAPK14 (0.47) MAPK14KITKDRLCKMAPK9
SCHEMBL396932 0.84 MAPK14 (0.50) MAPK14KITKDRLCKMAPK9
SCHEMBL396041 0.84 MAPK14 (0.50) MAPK14KITKDRLCKMAPK9
SCHEMBL396555 0.83 MAPK14 (0.65) MAPK14KITKDRLCKMAPK9
SCHEMBL2957471 0.83 MAPK14 (0.57) MAPK14KITKDRLCKMAPK9
SCHEMBL2952103 0.83 MAPK14 (0.55) MAPK14KITKDRLCKMAPK9

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