SCHEMBL8991270

SCHEMBL8991270

NC(=[Se])c1cn(COCc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.43
SRC P12931 9/20 0.43
LCK P06239 2/20 0.43
TEK Q02763 1/20 0.43
ABL1 P00519 4/20 0.40
EGFR P00533 4/20 0.40
ABL2 P42684 4/20 0.40
CDK1 P06493 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
KDR P35968 2/20 0.40
BTK Q06187 1/20 0.39
RET P07949 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7699497 0.89 IGF1R (0.43) IGF1RSRCLCKTEKABL1
SCHEMBL8991337 0.85 ADORA2A (0.41) IGF1RSRCEGFRADORA2A
SCHEMBL8991292 0.84 ADORA2A (0.51) SRCLCKTEKABL1EGFR
SCHEMBL7703236 0.82 ADK (0.38) SRCLCKTEKABL1EGFR
SCHEMBL7699500 0.79 IGF1R (0.42) IGF1RSRCLCKTEKABL1
SCHEMBL8991281 0.79 ENPP1 (0.39) SRCLCKTEKRET
SCHEMBL7696326 0.78 LRRK2 (0.44) IGF1RSRCLCKTEKABL1
SCHEMBL8990961 0.77 KDM4E (0.44) IGF1RSRCLCKTEKABL1
SCHEMBL8991101 0.74 RIPK2 (0.42) SRCABL1EGFRABL2CDK1
SCHEMBL8991365 0.74 ADORA2A (0.41) IGF1RSRCEGFRADORA2A

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