SCHEMBL1016309

SCHEMBL1016309

O=CCN1CCN(c2ccc(Nc3nc(N4CCCCC4)c4cc[nH]c4n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 11/20 0.51
JAK3 P52333 4/20 0.47
BTK Q06187 3/20 0.47
PTK2 Q05397 2/20 0.43
MAP3K7 O43318 1/20 0.43
EGFR P00533 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
NR4A1 P22736 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1018622 0.99 TTK (0.52) TTKJAK3BTKPTK2MAP3K7
SCHEMBL1015141 0.88 PAK4 (0.59) TTKJAK3BTKEGFR
SCHEMBL1016206 0.87 TTK (0.49) TTKJAK3BTKPTK2MAP3K7
SCHEMBL1018943 0.85 TTK (0.47) TTKJAK3BTKMAP3K7EGFR
SCHEMBL1019052 0.82 TTK (0.47) TTKJAK3BTKPTK2MAP3K7
SCHEMBL2021311 0.82 TTK (0.67) TTKJAK3BTKPTK2KDM4E
SCHEMBL1018447 0.82 PTK2 (0.55) TTKJAK3BTKPTK2KDM4E
SCHEMBL1017585 0.81 JAK3 (0.54) TTKJAK3BTKMAP3K7EGFR
SCHEMBL1017917 0.81 PTK2 (0.56) TTKJAK3BTKPTK2KDM4E
SCHEMBL1018711 0.81 TTK (0.46) TTKJAK3BTKPTK2MAP3K7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP claimed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO claimed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed