SCHEMBL21786019

SCHEMBL21786019

CCOC(=O)C(=CNC(=O)NC)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DHODH Q02127 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
GLO1 Q04760 1/20 0.47
GAA P10253 4/20 0.45
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL24170700 0.85 CYP2D6 (0.55) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL9326451 0.80 CYP2D6 (0.58) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL26012486 0.79 CYP2D6 (0.62) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL11257735 0.79 RECQL (0.34) CYP2D6ALDH1A1SMN1; SMN2MAPTEGLN1
SCHEMBL24170368 0.79 CYP2D6 (0.49) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL26084789 0.78 CYP2D6 (0.56) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL25454124 0.78 CYP2C9 (0.53) ALDH1A1SMN1; SMN2DHODHNPSR1GAA
SCHEMBL24170109 0.78 CYP2D6 (0.47) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL24170016 0.76 CYP2D6 (0.46) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL19429752 0.75 CYP2D6 (0.45) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1

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
EP-3843850-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC (US) 2023-11-15 EP disclosed
WO-2020047184-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC. (US) 2020-03-05 WO disclosed