SCHEMBL2950126

SCHEMBL2950126

COc1cc(N2CCN(Cc3ccccn3)CC2)ccc1-n1cnc2c(N)nc(N)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.42
ALDH1A1 P00352 5/20 0.41
USP2 O75604 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GFER P55789 1/20 0.39
DHFR P00374 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
HTR7 P34969 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2954051 0.86 DHFR (0.44) ALDH1A1USP2MAPTGFERDHFR
SCHEMBL30399128 0.83 FYN (0.41) MAPTGAAKDM4EDHFRHSP90AA1
SCHEMBL2952950 0.80 DHFR (0.43) TTKDHFRHSP90AA1HSP90AB1MEN1
SCHEMBL2948890 0.78 TTK (0.45) TTKDHFRHSP90AA1HSP90AB1HTR7
SCHEMBL2953676 0.77 EGFR (0.39) DHFR
SCHEMBL2946282 0.76 CNR1 (0.36) TTKDHFRHSP90AA1HSP90AB1
SCHEMBL3034636 0.74 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL2953119 0.74 TTK (0.43) TTK
SCHEMBL2946049 0.74 DHFR (0.42) TTKALDH1A1USP2TDP1LMNA
SCHEMBL2953492 0.73 TTK (0.47) TTKALDH1A1KDM4E

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