SCHEMBL20141718

SCHEMBL20141718

CCc1c(-c2ccccc2)nn(CCNC(=O)OC(C)(C)C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 3/20 0.45
SKP1 P63208 3/20 0.45
SKP2 Q13309 3/20 0.45
IDO1 P14902 1/20 0.41
DRD2 P14416 2/20 0.41
GABRA5 P31644 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
AKT1 P31749 1/20 0.38
BCHE P06276 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL16297436 0.82 ALDH1A1 (0.39) IDO1DRD2MEN1KMT2ASIGMAR1
SCHEMBL16297447 0.82 SYK (0.41) CKS1BSKP1SKP2IDO1DRD2
SCHEMBL20141217 0.81 CKS1B (0.42) CKS1BSKP1SKP2IDO1DRD2
SCHEMBL31357676 0.78 BCHE (0.47) DRD2MEN1KMT2ABCHE
SCHEMBL16297438 0.77 ALDH1A1 (0.35) DRD2MEN1KMT2ASIGMAR1
SCHEMBL16297444 0.76 SIGMAR1 (0.42) IDO1DRD2MEN1POLBKMT2A
SCHEMBL24930987 0.75 CKS1B (0.47) CKS1BSKP1SKP2IDO1DRD2
SCHEMBL30835688 0.73 S1PR1 (0.42) CKS1BSKP1SKP2IDO1DRD2
SCHEMBL1313637 0.73 BRD9 (0.46) CKS1BSKP1SKP2IDO1DRD2
SCHEMBL17619511 0.73 ALDH1A1 (0.56) CKS1BSKP1SKP2IDO1DRD2

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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed