SCHEMBL13634648

SCHEMBL13634648

COc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 5/20 0.51
IRAK4 Q9NWZ3 3/20 0.47
EGFR P00533 1/20 0.43
CHEK1 O14757 1/20 0.42
LRRK2 Q5S007 3/20 0.41
NUAK1 O60285 1/20 0.41
GPX4 P36969 1/20 0.41
ALK Q9UM73 1/20 0.40
FGFR1 P11362 1/20 0.40
TTK P33981 1/20 0.39
GPR6 P46095 1/20 0.39
BRD4 O60885 1/20 0.39
BRDT Q58F21 1/20 0.39

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
SCHEMBL13638941 0.92 MAP3K7 (0.43) MAP3K7IRAK4FGFR1TTKGPR6
SCHEMBL13634698 0.92 MAP3K7 (0.47) MAP3K7IRAK4FGFR1GPR6
SCHEMBL13634863 0.91 MAP3K7 (0.48) MAP3K7IRAK4FGFR1GPR6
SCHEMBL13634679 0.89 IRAK4 (0.43) IRAK4CHEK1GPR6
SCHEMBL13634606 0.89 IRAK4 (0.43) IRAK4CHEK1GPR6
SCHEMBL13634620 0.89 SCD (0.46) MAP3K7IRAK4EGFRLRRK2FGFR1
SCHEMBL13634736 0.89 MAP3K7 (0.40) MAP3K7IRAK4FGFR1GPR6
SCHEMBL13634619 0.85 SCN9A (0.43) IRAK4CHEK1GPR6
SCHEMBL13634703 0.85 PDE4D (0.42) IRAK4CHEK1GPR6
SCHEMBL13634803 0.84 IRAK4 (0.43) IRAK4CHEK1LRRK2

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