SCHEMBL13645251

SCHEMBL13645251

CC(C)(C)OC(=O)N1CCN(CNc2c(N)cnc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
ACHE P22303 2/20 0.43
PTPN11 Q06124 1/20 0.43
GBA1 P04062 2/20 0.42
KIT P10721 1/20 0.41
TERT O14746 1/20 0.41
DTYMK P23919 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
NSD2 O96028 1/20 0.41
MAP4K4 O95819 1/20 0.40
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 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
SCHEMBL13645320 0.85 MET (0.47) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL1140542 0.83 OPRD1 (0.41) CHRM2CHRM4CHRM1CHRM3SMARCA2
SCHEMBL14603734 0.83 JAK1 (0.50) NSD2
SCHEMBL13156635 0.79 GBA1 (0.53) CHRM2CHRM4CHRM1CHRM3SMARCA2
SCHEMBL14603926 0.78 USP30 (0.48)
SCHEMBL1232910 0.77 BCHE (0.52) ACHECKS1BSKP1SKP2
SCHEMBL12757192 0.76 MEN1 (0.48)
SCHEMBL204017 0.75 MEN1 (0.48)
SCHEMBL2743933 0.75 MEN1 (0.47) MAP4K4POLB
SCHEMBL3709871 0.73 FAAH (0.60) CHRM2CHRM4CHRM1CHRM3ACHE

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-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed