SCHEMBL5408787

SCHEMBL5408787

CC(C)=CCOc1cc(Nc2ccccn2)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.40
QRFPR Q96P65 1/20 0.39
IGF1R P08069 1/20 0.38
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL5308840 0.86 KDM4E (0.44) QRFPRIGF1RGRM5MEN1KMT2A
SCHEMBL13178587 0.81 EGFR (0.39) IMPDH2KMT2AABCG2
SCHEMBL3047670 0.80 PLA2G7 (0.40) MEN1KMT2A
SCHEMBL13138552 0.79 ABCG2 (0.54) ABCG2
SCHEMBL16356879 0.78 IGF1R (0.39) IMPDH2IGF1RMEN1KMT2A
SCHEMBL13138567 0.77 BCL6 (0.39) IMPDH2KMT2A
SCHEMBL13138556 0.76 FADS1 (0.43) IMPDH2MEN1KMT2A
SCHEMBL13138562 0.76 ALDH1A1 (0.38) IMPDH2KMT2A
SCHEMBL3035542 0.75 KDR (0.43) MEN1KMT2AABCG2
SCHEMBL16671997 0.73 EGFR (0.35) IMPDH2ABCG2

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-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO disclosed