SCHEMBL8720060

SCHEMBL8720060

c1cc2c3c([nH]nc3c1)-c1ccncc1S2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDPK1 O15530 1/20 0.31
AXL P30530 1/20 0.31
NFATC1 O95644 1/20 0.31
DYRK1A Q13627 1/20 0.31
FYN P06241 1/20 0.30

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
SCHEMBL8717236 0.88 GAA (0.36) GAAMAPTIDO1L3MBTL1PDPK1
SCHEMBL9273636 0.83 ALDH1A1 (0.35) GAAMAPTL3MBTL1PDPK1AXL
SCHEMBL8720058 0.73 PIM1 (0.41) GAAMAPTIDO1L3MBTL1PDPK1
SCHEMBL22801811 0.60 FYN (0.43) IDO1PDPK1DYRK1AFYN
SCHEMBL8716395 0.60 TOP2A (0.35) GAAMAPTIDO1L3MBTL1
SCHEMBL407793 0.57 MAPT (1.00) GAAMAPTIDO1L3MBTL1
SCHEMBL12396548 0.56 GAA (0.81) GAAMAPTIDO1L3MBTL1
SCHEMBL8142848 0.55 AURKA (0.45) GAAIDO1DYRK1AFYN
SCHEMBL17952723 0.55 SMN1; SMN2 (0.45) GAAMAPTIDO1L3MBTL1
SCHEMBL4484831 0.54 PIK3CA (0.43) GAAL3MBTL1DYRK1A

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-0837861-A1 NEW PYRIDO-THIOPYRANOINDAZOLES WITH ANTITUMOR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1998-04-29 EP disclosed
WO-1997002267-A1 NEW PYRIDO-THIOPYRANOINDAZOLES WITH ANTITUMOR ACTIVITY UNIVERSITY OF VERMONT (US) 1997-01-23 WO disclosed