SCHEMBL1406123

SCHEMBL1406123

Cc1ccc(C(=O)O)cc1-c1ccc2c(O[C@H](C)C(F)(F)F)nncc2c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.77
KIT P10721 10/20 0.77
KDR P35968 9/20 0.77
MAPK9 P45984 6/20 0.77
LCK P06239 6/20 0.77
MAPK10 P53779 2/20 0.77
LYN P07948 1/20 0.77
GRIK1 P39086 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
MAP3K5 Q99683 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL1406009 1.00 MAPK14 (0.77) MAPK14KITKDRMAPK9LCK
SCHEMBL396376 0.91 MAPK14 (0.73) MAPK14KITKDRMAPK9LCK
SCHEMBL393973 0.91 MAPK14 (0.73) MAPK14KITKDRMAPK9LCK
SCHEMBL397312 0.90 MAPK14 (0.79) MAPK14KITKDRMAPK9LCK
SCHEMBL398050 0.90 MAPK14 (0.79) MAPK14KITKDRMAPK9LCK
SCHEMBL397175 0.90 MAPK14 (0.79) MAPK14KITKDRMAPK9LCK
SCHEMBL398172 0.90 MAPK14 (0.79) MAPK14KITKDRMAPK9LCK
SCHEMBL397124 0.88 MAPK14 (0.77) MAPK14KITKDRMAPK9LCK
SCHEMBL395871 0.88 MAPK14 (1.00) MAPK14KITKDRMAPK9LCK
SCHEMBL395967 0.88 MAPK14 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077998-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2011-03-09 EP disclosed