SCHEMBL4085111

SCHEMBL4085111

CC(C)n1cc(C#N)c2cccc(C#C[Si](C)(C)C)c21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.35
XDH P47989 1/20 0.34
ABCC1 P33527 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ELANE P08246 1/20 0.32
KDR P35968 1/20 0.31
TEK Q02763 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
SCHEMBL4082959 0.80 IMPDH2 (0.38) IMPDH2XDHABCC1TSHRNPSR1
SCHEMBL4094828 0.78 CA12 (0.35) TSHR
SCHEMBL4084945 0.76 DYRK1A (0.41) IMPDH2XDHABCC1
SCHEMBL13885170 0.73 JAK2 (0.35) XDHABCC1KDRTEK
SCHEMBL4092944 0.71 HTR2A (0.33) TSHR
SCHEMBL3892674 0.69 TSHR (0.46) IMPDH2TSHR
SCHEMBL31106988 0.68 IMPDH2 (0.61) IMPDH2XDHTSHR
SCHEMBL8266974 0.68 IMPDH2 (0.61) IMPDH2XDHTSHR
SCHEMBL26259569 0.68 CYP1A2 (0.41) TSHR
SCHEMBL21076079 0.68 CA1 (0.39) IMPDH2TSHR

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