SCHEMBL4566262

SCHEMBL4566262

CCc1nc2cccc(C#C[Si](C)(C)C)c2n1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CRHR1 P34998 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL4091067 0.82 TSHR (0.37) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL13885373 0.82 GSK3B (0.32) TSHRMAPK1ALDH1A1LMNACRHR1
SCHEMBL4566261 0.79 POLB (0.33) TSHRMAPK1POLBMEN1KMT2A
SCHEMBL4082939 0.75 TSHR (0.39) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL4092944 0.68 HTR2A (0.33) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL7721500 0.67 POLB (0.63) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL19135928 0.64 PIK3CD (0.39) MAPK1POLBALDH1A1CRHR1MEN1
SCHEMBL4095370 0.62 CYP1A2 (0.41) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4085111 0.61 IMPDH2 (0.35) TSHR
SCHEMBL31411154 0.61 TLR7 (0.63) POLBLMNA

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