SCHEMBL8440532

SCHEMBL8440532

COC(=N)c1cn(COCCO)c2ncnc(N)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.41
LCK P06239 2/20 0.41
TEK Q02763 1/20 0.41
ADK P55263 2/20 0.38
FLT3 P36888 2/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
USP2 O75604 1/20 0.35
PNP P00491 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL10388752 0.82 NPC1 (0.47) SRCLCKTEKADKFLT3
SCHEMBL8444992 0.78 SRC (0.46) SRCLCKTEKADKFLT3
SCHEMBL8442394 0.78 SRC (0.46) SRCLCKTEKADKFLT3
SCHEMBL8441851 0.78 DYRK3 (0.54) SRCLCKTEKADKFLT3
SCHEMBL8991281 0.75 ENPP1 (0.39) SRCLCKTEKFLT3RET
SCHEMBL7700383 0.75 NPC1 (0.43) SRCLCKTEKFLT3RET
SCHEMBL8442195 0.75 SRC (0.43) SRCLCKTEKADKPIK3CD
SCHEMBL10388753 0.72 SRC (0.41) SRCLCKTEKADKFLT3
SCHEMBL7700980 0.71 NPC1 (0.45) SRCLCKTEKADKFLT3
SCHEMBL7703236 0.71 ADK (0.38) SRCLCKTEKADKFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36187-E HERPES SIMPLEX VIRUS; HUMAN CYTOMEGALOVIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1999-04-06 US disclosed
US-4968686-A DECREASED CYTOTOXICITY; CYTOMEGALO AND HERPEX SIMPLEX VIRUSES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1990-11-06 US disclosed