SCHEMBL3815345

SCHEMBL3815345

Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)c(OC(=O)NCc2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.52
MAPK11 Q15759 3/20 0.52
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
LIPG Q9Y5X9 4/20 0.39
LIPC P11150 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RIPK2 O43353 1/20 0.39
LCK P06239 2/20 0.39
KIT P10721 2/20 0.39
KDR P35968 2/20 0.39
MAPK9 P45984 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
WNT3A P56704 1/20 0.39
MAPK10 P53779 1/20 0.38

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
SCHEMBL3813699 0.93 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12RIPK2
SCHEMBL3346221 0.89 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12LIPG
SCHEMBL3817610 0.89 MAPT (0.45) MAPK14MAPK11MAPK13MAPK12CTDSP1
SCHEMBL3822336 0.88 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12LCK
SCHEMBL3822142 0.88 MAPK14 (0.42) MAPK14MAPK11MAPK13MAPK12LCK
SCHEMBL3819972 0.88 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12CTDSP1
SCHEMBL3820171 0.88 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12CTDSP1
SCHEMBL3814382 0.88 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12LCK
SCHEMBL3818023 0.87 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12LCK
SCHEMBL3820489 0.87 MAPK14 (0.49) MAPK14MAPK11LCKKITKDR

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