SCHEMBL3972817

SCHEMBL3972817

Cc1ccccc1C(=O)Nc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 1.00
HPGD P15428 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.68
HTT P42858 2/20 0.66
JAK2 O60674 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 3/20 0.62
MAPT P10636 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
THRB P10828 1/20 0.61
MAPK1 P28482 1/20 0.60
FFAR1 O14842 1/20 0.59
GAA P10253 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL27946675 0.87 JAK2 (0.77) TYK2SMN1; SMN2HTTJAK2L3MBTL1
SCHEMBL21993 0.85 HPGD (1.00) TYK2HPGDSMN1; SMN2HTTL3MBTL1
Iodomethane SCHEMBL20530190 0.82 HPGD (0.93) TYK2HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL3684485 0.82 HPGD (0.79) TYK2HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL29519361 0.82 HPGD (0.79) TYK2HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL13162689 0.82 ALDH1A1 (0.70) TYK2HPGDHTTALDH1A1MAPK1
SCHEMBL11781486 0.81 HPGD (0.77) TYK2HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL12700205 0.81 ALDH1A1 (0.76) TYK2SMN1; SMN2HTTJAK2L3MBTL1
SCHEMBL30192798 0.80 TYK2 (0.67) TYK2SMN1; SMN2JAK2L3MBTL1ALDH1A1
SCHEMBL13322124 0.80 TYK2 (0.67) TYK2HPGDSMN1; SMN2HTTJAK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
WO-2009049422-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1 -GANGLIOSIDOSIS/MORQUIO B DISEASE. AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO disclosed
WO-2009049421-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1-GANGLIOSIDOSIS/MORQUIO B DISEASE, AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO disclosed