SCHEMBL7066160

SCHEMBL7066160

C=CCc1nc(-c2cccnc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
CYP2A6 P11509 5/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2E1 P05181 1/20 0.41
ALK Q9UM73 1/20 0.41
PDGFRB P09619 1/20 0.41
CYP19A1 P11511 2/20 0.41
METAP2 P50579 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
AXL P30530 1/20 0.39
PBRM1 Q86U86 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL7067440 0.86 MAPK1 (0.41) MAPK1CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL1267770 0.83 HPGD (0.39) MAPK1PDGFRBALDH1A1SMN1; SMN2NPC1
SCHEMBL7686070 0.81 MAPK1 (0.43) MAPK1CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL19323015 0.80 CYP2A6 (0.46) MAPK1CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL455756 0.78 MAPK1 (0.42) MAPK1CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL7683895 0.78 MAPK1 (0.42) MAPK1CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL5025500 0.78 MAPK1 (0.43) MAPK1CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL5190750 0.77 NAPRT (0.49) MAPK1CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL16458131 0.76 MAPK1 (0.40) MAPK1CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL1133233 0.75 CYP2A6 (0.47) MAPK1CYP2A6CYP3A4CYP2D6CYP2C9

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
WO-2003047601-A1 NOVEL 11-O-SUBSTITUTED KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed
WO-2003047600-A1 11-O-SUBSTITUTED MACROLIDES AND THEIR DESCLADINOSE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed