SCHEMBL8991287

SCHEMBL8991287

COCCOCn1cc([Se]C(N)=O)c2c(N)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.40
ENPP1 P22413 2/20 0.39
NT5E P21589 1/20 0.36
RET P07949 9/20 0.36
SRC P12931 2/20 0.35
LCK P06239 1/20 0.35
TEK Q02763 1/20 0.35
RIPK1 Q13546 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
SCHEMBL7703239 0.87 SRC (0.38) FLT3RETSRCLCKTEK
SCHEMBL8991262 0.86 ADK (0.35) FLT3ENPP1
SCHEMBL7700384 0.80 ENPP1 (0.39) FLT3ENPP1NT5ERETSRC
SCHEMBL7700383 0.78 NPC1 (0.43) FLT3ENPP1NT5ERETSRC
SCHEMBL8991281 0.78 ENPP1 (0.39) FLT3ENPP1NT5ERETSRC
SCHEMBL8991126 0.78 RET (0.36) FLT3ENPP1RET
SCHEMBL7701195 0.74 ADK (0.42) ENPP1NT5ERETSRCLCK
SCHEMBL8991302 0.74 ADORA2A (0.49) FLT3RETSRCLCKTEK
SCHEMBL8991031 0.74 KDM4E (0.41) FLT3RETSRCLCKTEK
SCHEMBL8990936 0.73 ADK (0.33) FLT3SRC

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-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed