SCHEMBL7130884

SCHEMBL7130884

CNS(=O)(=O)c1ccc2c(c1)C(=Cc1cccc(Oc3ccc(C(C)(C)C)cc3)c1)C(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.51
SYK P43405 3/20 0.49
NTRK1 P04629 2/20 0.49
FCER2 P06734 1/20 0.49
NTRK3 Q16288 1/20 0.49
NTRK2 Q16620 1/20 0.49
SRC P12931 5/20 0.47
KDR P35968 3/20 0.46
CDK2 P24941 2/20 0.46
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
YES1 P07947 2/20 0.40
PDGFRB P09619 2/20 0.40
FGFR1 P11362 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
AURKA O14965 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5368747 0.91 SRC (0.51) SYKNTRK1FCER2NTRK3NTRK2
SCHEMBL7131357 0.90 SYK (0.57) ADAMTS5SYKNTRK1FCER2NTRK3
SCHEMBL7133282 0.90 NTRK1 (0.51) ADAMTS5SYKNTRK1FCER2NTRK3
SCHEMBL7140266 0.87 MOGAT2 (0.50) ADAMTS5SYK
SCHEMBL7132857 0.87 SYK (0.47) ADAMTS5SYKNTRK1FCER2NTRK3
SCHEMBL7137038 0.86 SYK (0.49) ADAMTS5SYKNTRK1FCER2NTRK3
SCHEMBL7135152 0.85 SRC (0.55) SYKNTRK1FCER2NTRK3NTRK2
SCHEMBL7136635 0.85 NTRK1 (0.55) SYKNTRK1FCER2NTRK3NTRK2
SCHEMBL7132123 0.85 SYK (0.62) SYKNTRK1FCER2NTRK3NTRK2
SCHEMBL7138552 0.83 ADAMTS5 (0.56) ADAMTS5NTRK1MAOAMAOB

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed