SCHEMBL28472880

SCHEMBL28472880

COC1CCN(CCCn2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 11/20 0.47
▸ FGFR1 P11362 11/20 0.47
▸ FGFR3 P22607 10/20 0.47
▸ FGFR4 P22455 6/20 0.47
▸ ABL1 P00519 4/20 0.46
▸ PTK6 Q13882 1/20 0.46
▸ SRC P12931 6/20 0.44
▸ FYN P06241 4/20 0.44
▸ LCK P06239 2/20 0.44
▸ RET P07949 2/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ ROS1 P08922 1/20 0.44

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
SCHEMBL18258364 0.93 ABL1 (0.51) FGFR2FGFR1FGFR3FGFR4ABL1
SCHEMBL4825100 0.84 SRC (0.56) FGFR2FGFR1FGFR3FGFR4SRC
SCHEMBL4823820 0.81 SRC (0.44) FGFR2FGFR1FGFR3FGFR4ABL1
SCHEMBL18250080 0.78 SRC (0.68) ABL1PTK6SRCFYNLCK
SCHEMBL25030582 0.78 SRC (0.49) ABL1PTK6SRCFYNLCK
SCHEMBL26148542 0.77 SRC (0.58) ABL1PTK6SRCFYNLCK
SCHEMBL18258356 0.77 SRC (0.64) FGFR2FGFR1FGFR3FGFR4ABL1
SCHEMBL18258360 0.76 SRC (0.69) ABL1PTK6SRCFYNLCK
SCHEMBL21293809 0.76 ADORA2A (0.48) SRCFYNLCKRETCDC7
SCHEMBL18258367 0.76 ABL1 (0.49) ABL1PTK6SRCFYNLCK

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
CN-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 — — CN disclosed
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