SCHEMBL5577199

SCHEMBL5577199

CCS(=O)(=O)c1cc(Br)c(C)c(N2CCN(C(C)(C)C)CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
KIF18A Q8NI77 1/20 0.31
LMNA P02545 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
SCHEMBL4928045 0.81 MEN1 (0.44) LMNA
SCHEMBL4934516 0.73 PSIP1 (0.43) TSHRLMNA
SCHEMBL5577202 0.71 THRA (0.32)
SCHEMBL29130968 0.66 BRD4 (0.42) TSHRMAPK1LMNA
SCHEMBL16432438 0.62 IGF1R (0.43) TSHRMAPK1LMNA
SCHEMBL5577210 0.61 NPSR1 (0.34) TSHRLMNA
SCHEMBL25247566 0.61 PSIP1 (0.41) TSHRLMNA
SCHEMBL10696321 0.61 CA2 (0.61) TSHRLMNA
SCHEMBL28105826 0.60 PDPK1 (0.32) TSHRLMNA
SCHEMBL5577214 0.60 ALDH1A1 (0.34) TSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 WO disclosed