SCHEMBL18744587

SCHEMBL18744587

CC(O)C(O)C(CO)OCn1cc(-c2cccs2)c2c(N)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.44
▸ TEK Q02763 5/20 0.39
▸ LCK P06239 4/20 0.39
▸ KDR P35968 4/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ EGFR P00533 3/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ ABL2 P42684 2/20 0.36
▸ GAPDH P04406 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ ADK P55263 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
SCHEMBL15241440 0.85 SRC (0.61) SRCTEKLCKKDREGFR
SCHEMBL18744617 0.83 SRC (0.46) SRCTEKLCKKDREGFR
SCHEMBL18744658 0.81 SRC (0.44) SRCTEKLCKKDRCCNA2
SCHEMBL18744657 0.80 SRC (0.45) SRCTEKLCKKDRCDK2
SCHEMBL19277019 0.80 DYRK3 (0.52) SRCTEKLCKADK
SCHEMBL13656694 0.80 DYRK3 (0.52) SRCTEKLCKADK
SCHEMBL18744642 0.78 PIKFYVE (0.49) SRCTEKLCKKDREGFR
SCHEMBL13656692 0.74 ADK (0.48) SRCLCKKDREGFRADK
SCHEMBL18744602 0.74 SRC (0.65) SRCTEKLCKKDREGFR
SCHEMBL13063927 0.73 PRMT5 (0.39) ADK

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
US-9624257-B2 7-deazapurine nucleosides for therapeutic uses INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. (CZ) 2017-04-18 — — US disclosed
Send feedback