SCHEMBL395596

SCHEMBL395596

Cc1ccc(C(N)=O)cc1-c1ccc2c(N3CCC[C@@H]3C(C)(C)C)nncc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.53
KIT P10721 11/20 0.53
KDR P35968 8/20 0.53
MAPK9 P45984 6/20 0.53
LCK P06239 5/20 0.52
MAPK10 P53779 2/20 0.45
ABL1 P00519 2/20 0.44
LYN P07948 1/20 0.43
CYP3A4 P08684 4/20 0.40
MAPK13 O15264 1/20 0.37
PDGFRB P09619 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL395685 1.00 MAPK14 (0.53) MAPK14KITKDRMAPK9LCK
SCHEMBL1405876 0.93 MAPK14 (0.53) MAPK14KITKDRMAPK9LCK
SCHEMBL396710 0.93 MAPK14 (0.53) MAPK14KITKDRMAPK9LCK
SCHEMBL394918 0.88 MAPK14 (0.56) MAPK14KITKDRMAPK9LCK
SCHEMBL398218 0.88 MAPK14 (0.56) MAPK14KITKDRMAPK9LCK
SCHEMBL2952507 0.86 MAPK14 (0.60) MAPK14KITKDRMAPK9LCK
SCHEMBL2951956 0.82 MAPK14 (0.68) MAPK14KITKDRMAPK9LCK
SCHEMBL2948217 0.81 MAPK14 (0.56) MAPK14KITKDRMAPK9LCK
SCHEMBL2954743 0.79 MAPK14 (0.55) MAPK14KITKDRMAPK9LCK
SCHEMBL2955977 0.79 MAPK14 (0.57) 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