SCHEMBL394918

SCHEMBL394918

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.56
KIT P10721 10/20 0.56
KDR P35968 9/20 0.56
MAPK9 P45984 6/20 0.56
LCK P06239 6/20 0.55
MAPK10 P53779 2/20 0.52
LYN P07948 1/20 0.52
MAPK13 O15264 1/20 0.40
CSF1R P07333 1/20 0.40
ABL1 P00519 2/20 0.39
CYP3A4 P08684 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
SCHEMBL398218 1.00 MAPK14 (0.56) MAPK14KITKDRMAPK9LCK
SCHEMBL398233 0.89 MAPK14 (0.64) MAPK14KITKDRMAPK9LCK
SCHEMBL396096 0.89 MAPK14 (0.64) MAPK14KITKDRMAPK9LCK
SCHEMBL395685 0.88 MAPK14 (0.53) MAPK14KITKDRMAPK9LCK
SCHEMBL395596 0.88 MAPK14 (0.53) MAPK14KITKDRMAPK9LCK
SCHEMBL2951956 0.83 MAPK14 (0.68) MAPK14KITKDRMAPK9LCK
SCHEMBL1405876 0.81 MAPK14 (0.53) MAPK14KITKDRMAPK9LCK
SCHEMBL396710 0.81 MAPK14 (0.53) MAPK14KITKDRMAPK9LCK
SCHEMBL2954517 0.80 MAPK14 (0.77) MAPK14KITKDRMAPK9LCK
SCHEMBL2952142 0.80 MAPK14 (0.69) 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