SCHEMBL7249188

SCHEMBL7249188

c1cc(Nc2ccc(Cc3ccoc3)cc2)c2ccc(-c3ccc(CNCCCN4CCOCC4)cn3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.46
RET P07949 1/20 0.44
APP P05067 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALK Q9UM73 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 1/20 0.37
MAP4K4 O95819 1/20 0.37
TGFBR1 P36897 1/20 0.37
SRC P12931 1/20 0.36
HPSE Q9Y251 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL3225436 0.87 MAP2K1 (0.62) MAP2K1SRC
SCHEMBL7696154 0.82 TGFBR1 (0.46) APPALKMAP4K4TGFBR1
SCHEMBL7247799 0.80 RET (0.47) MAP2K1RETAPPALKHRH3
SCHEMBL7249493 0.78 SRC (0.59) MAP2K1RETSRC
SCHEMBL3216659 0.77 MAP2K1 (0.62) MAP2K1SRC
SCHEMBL3231242 0.74 MAP2K1 (0.61) MAP2K1SRC
SCHEMBL4557789 0.74 MAP2K1 (0.73) MAP2K1SRC
SCHEMBL5259570 0.71 MAP2K1 (0.47) MAP2K1SRC
SCHEMBL3228480 0.71 MAP2K1 (0.55) MAP2K1SRC
SCHEMBL3224747 0.70 SRC (0.47) MAP2K1SRC

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
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed