SCHEMBL2487225

SCHEMBL2487225

COc1cc(-c2cnc3c(c2)C(COCC[Si](C)(C)C)C(=O)N3)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 10/20 0.46
FYN P06241 3/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35
SRC P12931 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
SYK P43405 2/20 0.34
KIT P10721 1/20 0.33
CHEK2 O96017 1/20 0.32

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
SCHEMBL17506430 0.82 BRD4 (0.30) BRD4
SCHEMBL720189 0.79 MAP3K11 (0.58) MAP3K11FYNBRD4KDM4EALDH1A1
SCHEMBL721588 0.78 MAP3K11 (0.60) MAP3K11FYNBRD4ALDH1A1HSD17B10
SCHEMBL720260 0.77 MAP3K11 (0.48) MAP3K11FYNBRD4ALDH1A1KDR
SCHEMBL27923815 0.76 MAP3K11 (0.46) MAP3K11FYNBRD4KDM4EALDH1A1
SCHEMBL722006 0.74 MAP3K11 (0.51) MAP3K11FYNBRD4KDM4EALDH1A1
SCHEMBL27923812 0.74 MAP3K11 (0.50) MAP3K11BRD4KIT
SCHEMBL721984 0.73 MAP3K11 (0.55) MAP3K11FYNCHEK2
Formaldehyde SCHEMBL27841166 0.72 MAP3K11 (0.54) MAP3K11FYNKDM4EALDH1A1GLA
SCHEMBL27905880 0.71 FYN (0.52) MAP3K11FYNSYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576549-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE University of Rochester (US) 2013-04-10 EP disclosed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO disclosed
EP-2379561-A2 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2011-10-26 EP disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO disclosed