SCHEMBL7253189

SCHEMBL7253189

CCCCOC(=O)c1ccc(-c2nc(Nc3ccc4ncccc4c3)ncc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
STK17A Q9UEE5 1/20 0.42
SLC2A1 P11166 1/20 0.42
NPC1 O15118 1/20 0.41
ALOX5 P09917 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.41
SYK P43405 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
PKM P14618 1/20 0.40
PTGES O14684 1/20 0.40
CDK4 P11802 1/20 0.40
HDAC1 Q13547 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
SCHEMBL7258709 0.77 KDR (0.54) MAPTMEN1KMT2ASTK17ANPC1
SCHEMBL14046318 0.76 ALOX15 (0.64) MAPTHPGDMEN1KMT2AL3MBTL1
SCHEMBL7253695 0.73 NPC1 (0.54) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL4772394 0.71 RAB9A (0.65) MAPTHPGDRAB9AMEN1KMT2A
SCHEMBL16385836 0.68 SMN1; SMN2 (0.61) MAPTHPGDRAB9AMEN1KMT2A
SCHEMBL28830798 0.68 MAPT (0.67) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL16621476 0.67 L3MBTL1 (0.52) MAPTHPGDMEN1KMT2AL3MBTL1
SCHEMBL17784180 0.67 HPGD (0.55) MAPTHPGDRAB9AMEN1KMT2A
SCHEMBL10149114 0.67 PTK2 (0.52) MAPTHPGDRAB9AMEN1KMT2A
SCHEMBL27480439 0.66 CHRNB2 (0.54) L3MBTL1

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-2003030909-A1 2- AND 4-AMINOPYRIMIDINES N-SUBSTTITUDED BY A BICYCLIC RING FOR USE AS KINASE INHIBITORS IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-17 WO disclosed