SCHEMBL4436145

SCHEMBL4436145

CC(C)(C)[CH]CNc1ccc(C#N)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.41
DPP4 P27487 7/20 0.41
DPP7 Q9UHL4 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CCR6 P51684 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3060340 0.77 HCAR3 (0.49) IDH1DPP4DPP7MEN1KMT2A
SCHEMBL646539 0.77 DPP4 (0.47) IDH1DPP4DPP7MEN1KMT2A
SCHEMBL15471096 0.77 DPP4 (0.45) IDH1DPP4DPP7GSK3BDPP8
SCHEMBL6638863 0.77 DPP4 (0.53) IDH1DPP4DPP7MEN1KMT2A
SCHEMBL13617155 0.75 DPP4 (0.43) IDH1DPP4DPP7GSK3BCCR6
SCHEMBL3049238 0.74 HCAR3 (0.51) IDH1DPP4DPP7GSK3BDPP8
SCHEMBL1344707 0.74 IDH1 (0.43) IDH1DPP4DPP7MEN1KMT2A
SCHEMBL14184982 0.74 MEN1 (0.42) IDH1DPP4MEN1KMT2ACCR6
SCHEMBL21167755 0.73 HCAR3 (0.53) IDH1DPP4DPP7MEN1KMT2A
SCHEMBL6125342 0.73 DPP4 (0.48) IDH1DPP4DPP7MEN1KMT2A

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
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed