SCHEMBL396663

SCHEMBL396663

Cc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(-c3ccc(F)cc3)nncc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.55
KIT P10721 9/20 0.55
KDR P35968 8/20 0.55
LCK P06239 6/20 0.55
MAPK9 P45984 6/20 0.51
MAPK10 P53779 2/20 0.51
ABL1 P00519 5/20 0.45
LYN P07948 1/20 0.43
ADCY1 Q08828 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
SCHEMBL396555 0.89 MAPK14 (0.65) MAPK14KITKDRLCKMAPK9
SCHEMBL395919 0.87 MAPK14 (0.49) MAPK14KITKDRLCKMAPK9
SCHEMBL395390 0.86 MAPK14 (0.48) MAPK14KITKDRLCKMAPK9
SCHEMBL397566 0.84 MAPK14 (0.46) MAPK14KITKDRLCKMAPK9
SCHEMBL395816 0.84 MAPK14 (0.47) MAPK14KITKDRLCKMAPK9
SCHEMBL396791 0.84 MAPK14 (0.51) MAPK14KITKDRLCKMAPK9
SCHEMBL396557 0.83 MAPK14 (0.47) MAPK14KITKDRLCKMAPK9
SCHEMBL397085 0.83 MAPK14 (0.49) MAPK14KITKDRLCKMAPK9
SCHEMBL396041 0.82 MAPK14 (0.50) MAPK14KITKDRLCKMAPK9
SCHEMBL1405893 0.82 MAPK14 (0.45) 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