SCHEMBL13634602

SCHEMBL13634602

CC[C@@H]1CN(c2ccc(NC(=O)c3csc(N4CCC(Oc5ncccn5)CC4)n3)c(C(=O)OC)c2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MALT1 Q9UDY8 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
SCHEMBL13638992 0.94 IRAK4 (0.39) IDH1IRAK4OPRK1KMT2AMAPK14
SCHEMBL13634523 0.92 IDH1 (0.38) IDH1IRAK4OPRK1KMT2AMAPK14
SCHEMBL13634650 0.89 IRAK4 (0.50) IRAK4OPRK1KMT2ALMNA
SCHEMBL13634782 0.89 MALT1 (0.40) IDH1IRAK4OPRK1KMT2AMAPK14
SCHEMBL13638937 0.86 IRAK4 (0.38) IDH1IRAK4OPRK1KMT2AMAPK14
SCHEMBL13634681 0.85 HRH3 (0.38) IRAK4OPRK1KMT2AHRH3
SCHEMBL13638904 0.82 MAP4K1 (0.39) IDH1HRH3
SCHEMBL13634716 0.82 HRH3 (0.40) IRAK4OPRK1KMT2AHRH3LMNA
SCHEMBL13634800 0.81 IRAK4 (0.46) IRAK4OPRK1KMT2AMAPK14
SCHEMBL13634783 0.81 IRAK4 (0.48) IRAK4OPRK1KMT2A

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed