SCHEMBL2952077

SCHEMBL2952077

COc1cc(N2CCC(N3CCCCC3)C2)ccc1-n1cnc2c(N)nc(N)nc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INSR P06213 3/20 0.42
IGF1R P08069 3/20 0.42
ALK Q9UM73 3/20 0.42
EGFR P00533 1/20 0.38
CCR4 P51679 7/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLK1 P53350 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
DPP4 P27487 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
PDE7A Q13946 1/20 0.34

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
SCHEMBL2952940 0.91 SMPD3 (0.41) INSRIGF1RALKFGFR1FGFR2
SCHEMBL2953119 0.86 TTK (0.43) INSRIGF1RALKEGFRFGFR1
SCHEMBL30399128 0.80 FYN (0.41) EGFRHSP90AA1HSP90AB1
SCHEMBL2954051 0.80 DHFR (0.44) HSP90AA1HSP90AB1
SCHEMBL2952950 0.80 DHFR (0.43) INSRALKMEN1KMT2AHSP90AA1
SCHEMBL3034636 0.76 HSP90AA1 (0.38) INSRIGF1RALKHSP90AA1HSP90AB1
SCHEMBL2953676 0.74 EGFR (0.39) ALKEGFR
SCHEMBL13177942 0.74 L3MBTL1 (0.45) INSRIGF1RALKCCR4MEN1
SCHEMBL2948890 0.74 TTK (0.45) INSRIGF1RALKHSP90AA1HSP90AB1
SCHEMBL2949173 0.73 HSP90AA1 (0.47) MEN1KMT2AHSP90AA1HSP90AB1

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