SCHEMBL2952940

SCHEMBL2952940

COc1cc(N2CCC(N3CCOCC3)C2)ccc1-n1cnc2c(N)nc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.41
MAP4K4 O95819 2/20 0.41
TTK P33981 3/20 0.39
CAMK2D Q13557 1/20 0.39
ALK Q9UM73 5/20 0.39
INSR P06213 2/20 0.39
IGF1R P08069 2/20 0.39
FGFR1 P11362 2/20 0.36
FGFR4 P22455 2/20 0.36
KDR P35968 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAP3K12 Q12852 2/20 0.36
PIK3CD O00329 1/20 0.36
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL2953119 0.95 TTK (0.43) SMPD3TTKCAMK2DALKINSR
SCHEMBL2952077 0.91 INSR (0.42) ALKINSRIGF1RFGFR1FGFR4
SCHEMBL2952950 0.87 DHFR (0.43) TTKALKINSR
SCHEMBL2954051 0.80 DHFR (0.44)
SCHEMBL2946049 0.79 DHFR (0.42) TTK
SCHEMBL30399128 0.79 FYN (0.41)
SCHEMBL2948890 0.78 TTK (0.45) TTKALKINSRIGF1R
SCHEMBL2952277 0.77 MAP4K4 (0.45) SMPD3MAP4K4HRH3PIK3CD
SCHEMBL520455 0.75 SMPD3 (0.44) SMPD3MAP4K4TTKCAMK2DALK
SCHEMBL2951937 0.75 DHFR (0.45) KDRPIK3CD

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed