SCHEMBL27800360

SCHEMBL27800360

CC(C)(C)OC(=O)N1CCN(c2c(C(=O)O)cnc3c2ccn3C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
ACHE P22303 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
MAP4K4 O95819 1/20 0.41
KIT P10721 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NR3C1 P04150 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 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
SCHEMBL3721901 0.84 PTPN11 (0.46) PTPN11CKS1BSKP1SKP2ACHE
SCHEMBL4743456 0.78 MAPT (0.47) PTPN11CKS1BSKP1SKP2ACHE
SCHEMBL4743444 0.78 USP2 (0.54) PTPN11CKS1BSKP1SKP2ACHE
SCHEMBL4743436 0.76 SMN1; SMN2 (0.48) PTPN11CKS1BSKP1SKP2GPR119
SCHEMBL22395760 0.76 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1
SCHEMBL4742147 0.76 LMNA (0.48) PTPN11CKS1BSKP1SKP2ACHE
SCHEMBL4739993 0.75 THRB (0.54) PTPN11CKS1BSKP1SKP2GPR119
SCHEMBL4742143 0.73 ALDH1A1 (0.58) PTPN11CKS1BSKP1SKP2KIT
SCHEMBL16636900 0.73 MAPK8 (0.39) PTPN11CKS1BSKP1SKP2GPR119
SCHEMBL23727334 0.72 MAPT (0.52) CKS1BSKP1SKP2ACHEGPR119

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
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
CN-101959887-A Pyrrolopyridine as kinase inhibitor ARRAY BIOPHARMA INC 2011-01-26 CN disclosed