SCHEMBL2926041

SCHEMBL2926041

CC(C)(C)OC(=O)Nc1cnc(F)cc1-c1cccc2ccsc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.42
SYK P43405 1/20 0.38
ELANE P08246 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
LCK P06239 3/20 0.34
CYP17A1 P05093 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ADORA2B P29275 1/20 0.34
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL1339085 0.83 ADORA2B (0.36) ADORA2B
SCHEMBL388918 0.78 AAK1 (0.38) METAP1SYKLCKHSP90AA1HSP90AB1
SCHEMBL2881436 0.76 GLS (0.37) ADORA2B
SCHEMBL30365682 0.74 ADORA3 (0.41) METAP1SYKBRD9CYP17A1ADORA2B
SCHEMBL6644306 0.72 BRD9 (0.40) METAP1SYKBRD9RXFP1CYP17A1
SCHEMBL17336530 0.72 AAK1 (0.42) METAP1SYKBRD9RXFP1LCK
SCHEMBL14032205 0.71 ATR (0.48) METAP1SYKBRD9RXFP1CYP17A1
SCHEMBL25297301 0.71 ATR (0.41) METAP1SYKBRD9RXFP1LCK
SCHEMBL15583603 0.71 AAK1 (0.41) METAP1SYKBRD9RXFP1LCK
SCHEMBL594117 0.71 CYP17A1 (0.40) METAP1SYKBRD9RXFP1CYP17A1

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
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP disclosed