SCHEMBL379849

SCHEMBL379849

CCc1ccccc1-c1nnc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccn12

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 16/20 0.79
MAPK14 Q16539 3/20 0.70
RAF1 P04049 1/20 0.67
KIT P10721 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
RIPK2 O43353 1/20 0.50

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
SCHEMBL379826 0.92 MAPK13 (0.86) MAPK13MAPK14RAF1KITMAPK9
SCHEMBL380034 0.88 MAPK13 (1.00) MAPK13MAPK14RAF1KITMAPK9
SCHEMBL379858 0.88 MAPK14 (0.83) MAPK13MAPK14RAF1KIT
SCHEMBL379666 0.88 MAPK13 (0.79) MAPK13MAPK14RAF1KITRIPK2
SCHEMBL380690 0.86 MAPK13 (0.77) MAPK13MAPK14RAF1KITMAPK9
SCHEMBL380772 0.86 MAPK13 (0.76) MAPK13MAPK14RAF1
SCHEMBL379801 0.85 MAPK13 (0.76) MAPK13MAPK14RAF1
SCHEMBL379501 0.83 MAPK14 (0.81) MAPK13MAPK14RAF1
SCHEMBL3616016 0.83 MAPK13 (0.74) MAPK13MAPK14RAF1
SCHEMBL380265 0.83 MAPK13 (0.76) MAPK13MAPK14RAF1RIPK2

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-2086973-B1 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC (US) 2012-01-25 EP disclosed