SCHEMBL4064669

SCHEMBL4064669

CC(C)(C)c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])c(C(N)C3CC3)n2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
KMT2A Q03164 2/20 0.37
TGFBR1 P36897 3/20 0.34
RIPK2 O43353 1/20 0.34
ACVR1B P36896 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MTOR P42345 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
GPR68 Q15743 1/20 0.32
BRAF P15056 3/20 0.32
MEN1 O00255 1/20 0.31
MAPK13 O15264 1/20 0.30
RAF1 P04049 1/20 0.30
MAPK9 P45984 1/20 0.30

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
SCHEMBL4066418 0.91 BRAF (0.43) MAPK14KMT2ATGFBR1RIPK2ACVR1B
SCHEMBL4064671 0.79 PRKCQ (0.45) MAPK14MAPK9
SCHEMBL3992567 0.76 MAPK14 (0.45) MAPK14KMT2ATGFBR1RIPK2ACVR1B
SCHEMBL4064676 0.76 MAPK14 (0.40) MAPK14KMT2ATGFBR1RIPK2ACVR1B
SCHEMBL4122831 0.72 MAPT (0.43) MAPK14KMT2ATGFBR1MTORKDM4E
SCHEMBL4066421 0.70 MAPK14 (0.44) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL4067901 0.67 BRAF (0.38) MAPK14KMT2ABRAFMEN1MAPK13
SCHEMBL4066423 0.67 BRAF (0.43) MAPK14KMT2ATGFBR1RIPK2ACVR1B
SCHEMBL3992075 0.67 MAPK14 (0.51) MAPK14KMT2ATGFBR1RIPK2ACVR1B
SCHEMBL11171288 0.66 BRAF (0.60) MAPK14KMT2AKDM4EHPGDSMN1; SMN2

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-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP disclosed