SCHEMBL4566261

SCHEMBL4566261

CCc1nc2c(C#C[Si](C)(C)C)cccc2n1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4566262 0.79 TSHR (0.35) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL7721500 0.67 POLB (0.63) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL13885373 0.66 GSK3B (0.32) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL20088736 0.64 POLB (0.41) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL102461 0.64 POLB (0.51) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL30039598 0.63 POLB (0.38) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL4091067 0.63 TSHR (0.37) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL4092944 0.62 HTR2A (0.33) TSHRMEN1KMT2AMAPT
SCHEMBL7569210 0.61 KDM4E (0.38) TSHRMEN1KMT2AMAPT
SCHEMBL3839029 0.61 KDM4E (0.49) TSHRMEN1KMT2AMAPT

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
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed