SCHEMBL395872

SCHEMBL395872

CCn1nccc1NC(=O)c1ccc(C)c(-c2ccc3c(N4CCOC[C@@H]4C)nncc3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.71
KIT P10721 8/20 0.71
KDR P35968 6/20 0.71
MAPK9 P45984 4/20 0.71
LCK P06239 4/20 0.55
CYP3A4 P08684 6/20 0.52
PDGFRB P09619 1/20 0.51
KCNH2 Q12809 1/20 0.51
MAPK11 Q15759 1/20 0.51
ATR Q13535 1/20 0.42
MAPK10 P53779 1/20 0.42
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL397331 0.91 MAPK14 (0.74) MAPK14KITKDRMAPK9LCK
SCHEMBL2956008 0.83 MAPK14 (1.00) MAPK14KITKDRMAPK9LCK
SCHEMBL2951620 0.83 MAPK14 (1.00) MAPK14KITKDRMAPK9LCK
SCHEMBL2953095 0.82 MAPK14 (0.78) MAPK14KITKDRMAPK9LCK
SCHEMBL2948669 0.82 MAPK14 (0.78) MAPK14KITKDRMAPK9LCK
SCHEMBL395975 0.78 MAPK14 (0.52) MAPK14KITKDRMAPK9LCK
SCHEMBL398171 0.77 MAPK14 (0.63) MAPK14KITKDRMAPK9LCK
SCHEMBL2948571 0.73 MAPK14 (0.77) MAPK14KITKDRMAPK9LCK
SCHEMBL2953244 0.72 MAPK14 (0.79) MAPK14KITKDRMAPK9LCK
SCHEMBL2954613 0.72 MAPK14 (0.79) 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