SCHEMBL16127376

SCHEMBL16127376

C/N=C(/N)c1cc(-c2nn(CCN3CCOCC3)c3ncnc(N)c23)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.53
▸ YES1 P07947 5/20 0.53
▸ FGR P09769 5/20 0.53
▸ PIK3CG P48736 6/20 0.50
▸ PIK3CA P42336 5/20 0.50
▸ FYN P06241 4/20 0.50
▸ LYN P07948 2/20 0.50
▸ ABL1 P00519 9/20 0.49
▸ LCK P06239 1/20 0.49
▸ RET P07949 1/20 0.49
▸ FRK P42685 1/20 0.49
▸ FGFR1 P11362 4/20 0.47
▸ FGFR2 P21802 4/20 0.47
▸ FGFR3 P22607 4/20 0.47
▸ FGFR4 P22455 3/20 0.47
▸ PIK3CD O00329 4/20 0.46
▸ EGFR P00533 4/20 0.46
▸ HCK P08631 4/20 0.46
▸ KDR P35968 4/20 0.46
▸ PIK3CB P42338 4/20 0.46

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
SCHEMBL7902941 0.78 SRC (0.56) SRCYES1FGRPIK3CGPIK3CA
SCHEMBL15613596 0.77 SRC (0.65) SRCYES1FGRPIK3CGPIK3CA
SCHEMBL20132621 0.70 SRC (1.00) SRCYES1FGRFYNLYN
SCHEMBL12422345 0.70 PIK3CD (0.66) SRCYES1FGRPIK3CGPIK3CA
SCHEMBL2965908 0.69 IGF1R (0.71) EGFR
SCHEMBL18250084 0.67 SRC (1.00) SRCYES1FGRFYNLYN
SCHEMBL22539896 0.67 YES1 (0.42) SRCYES1FGRFYNLYN
SCHEMBL18258327 0.67 SRC (0.73) SRCYES1FGRPIK3CGPIK3CA
SCHEMBL16886171 0.66 SRC (0.50) SRCYES1FGRPIK3CAFYN
SCHEMBL16712875 0.66 PIK3CD (0.72) SRCPIK3CGPIK3CAABL1LCK

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-2014153509-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-25 — — WO disclosed
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