SCHEMBL7833644

SCHEMBL7833644

CC(C)CC(=O)Nc1ncccn1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
ADORA1 P30542 1/20 0.54
PTPN1 P18031 2/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL19111000 0.81 LMNA (0.58) LMNAHTTMAPK1GAATDP1
SCHEMBL19116549 0.81 SMN1; SMN2 (0.49) LMNAHTTSMN1; SMN2ADORA1PTPN1
SCHEMBL19116509 0.81 SMN1; SMN2 (0.49) LMNAHTTSMN1; SMN2ADORA1PTPN1
SCHEMBL10130727 0.79 GAA (0.69) LMNASMN1; SMN2GAARAB9AALDH1A1
SCHEMBL4409751 0.78 LMNA (0.68) LMNAHTTSMN1; SMN2ADORA1MAPK1
SCHEMBL14705313 0.78 DEGS1 (0.55) LMNAHTTMAPK1GAAHPGD
SCHEMBL5654720 0.76 DEGS1 (0.57) LMNAHTTMAPK1GAAHPGD
SCHEMBL19116658 0.76 RAB9A (0.54) HTTSMN1; SMN2MAPK1RAB9ANPSR1
SCHEMBL19116523 0.76 GAA (0.54) LMNASMN1; SMN2ADORA1PTPN1GAA
SCHEMBL19116877 0.76 NPC1 (0.55) LMNAHTTSMN1; SMN2PTPN1HPGD

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-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO disclosed