SCHEMBL3817610

SCHEMBL3817610

Cc1ccc(-c2nc(Nc3cc(C(=O)NC4CC4)ccc3C)sc2OC(=O)NCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK14 Q16539 12/20 0.44
MAPK11 Q15759 8/20 0.44
LCK P06239 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL3822336 0.95 MAPK14 (0.46) MAPTTP53POLBMAPK14MAPK11
SCHEMBL3819972 0.94 MAPK14 (0.47) MAPTTP53POLBMEN1KMT2A
SCHEMBL3822142 0.94 MAPK14 (0.42) MAPTTP53POLBMAPK14MAPK11
SCHEMBL3820171 0.94 MAPK14 (0.49) MAPTTP53POLBMAPK14MAPK11
SCHEMBL3814382 0.94 MAPK14 (0.47) MAPTTP53POLBMAPK14MAPK11
SCHEMBL3818023 0.93 MAPK14 (0.45) MAPTTP53POLBMEN1KMT2A
SCHEMBL3820489 0.93 MAPK14 (0.49) MAPTTP53POLBMAPK14MAPK11
SCHEMBL3824492 0.92 MAPK14 (0.46) MAPTTP53POLBMEN1KMT2A
SCHEMBL3821471 0.92 MAPK14 (0.47) MAPTTP53POLBMAPK14MAPK11
SCHEMBL3817664 0.92 MAPK14 (0.42) MAPTTP53POLBKMT2AMAPK14

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-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP claimed