SCHEMBL4084945

SCHEMBL4084945

CC(C)n1cc(C#N)c2cccc(Br)c21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
IMPDH2 P12268 2/20 0.39
XDH P47989 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCC1 P33527 1/20 0.34

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) IMPDH2XDHKDM4EALDH1A1TDP1
SCHEMBL20605101 0.79 IMPDH2 (0.54) DYRK1AIMPDH2KDM4EALDH1A1TDP1
SCHEMBL4085111 0.76 IMPDH2 (0.35) IMPDH2XDHABCC1
SCHEMBL4094763 0.76 PDE4B (0.32) ALDH1A1
SCHEMBL4095238 0.76 KCNH2 (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8266974 0.73 IMPDH2 (0.61) IMPDH2XDHALDH1A1TDP1SMN1; SMN2
SCHEMBL31106988 0.73 IMPDH2 (0.61) IMPDH2XDHALDH1A1TDP1SMN1; SMN2
SCHEMBL4095742 0.71 BRD4 (0.40) KDM4EALDH1A1SMN1; SMN2
SCHEMBL24853984 0.69 SMN1; SMN2 (0.53) XDHALDH1A1SMN1; SMN2
SCHEMBL30173392 0.69 SMN1; SMN2 (0.53) XDHALDH1A1SMN1; SMN2

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