SCHEMBL4082959

SCHEMBL4082959

C#Cc1cccc2c(C#N)cn(C(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.38
XDH P47989 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCC1 P33527 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4085111 0.80 IMPDH2 (0.35) IMPDH2XDHABCC1TSHRNPSR1
SCHEMBL4084945 0.80 DYRK1A (0.41) IMPDH2XDHALDH1A1SMN1; SMN2KDM4E
SCHEMBL8266974 0.72 IMPDH2 (0.61) IMPDH2XDHALDH1A1MAPTSMN1; SMN2
SCHEMBL31106988 0.72 IMPDH2 (0.61) IMPDH2XDHALDH1A1MAPTSMN1; SMN2
SCHEMBL13885170 0.70 JAK2 (0.35) XDHABCC1
SCHEMBL21076079 0.68 CA1 (0.39) IMPDH2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL25784287 0.66 BCHE (0.40) ALDH1A1MAPTTDP1TSHR
SCHEMBL21725642 0.65 HTR2A (0.36) ALDH1A1SMN1; SMN2KDM4ETDP1CA1
SCHEMBL14547575 0.63 TSHR (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ECA1
SCHEMBL1626174 0.63 ALDH1A1 (0.36) ALDH1A1TSHR

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