SCHEMBL7703241

SCHEMBL7703241

COCCOCn1c(Br)c(C#N)c2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.56
LRRK2 Q5S007 10/20 0.46
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3R2 O00459 2/20 0.35
HSPA8 P11142 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
RET P07949 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL7701687 0.88 LRRK2 (0.54) DYRK1ALRRK2CDK5CDK5R1PIK3CD
SCHEMBL7698534 0.87 DYRK1A (0.60) DYRK1ALRRK2CDK5CDK5R1HSPA8
SCHEMBL7699564 0.80 DYRK1A (0.51) DYRK1ALRRK2PIK3CDHSPA8RET
SCHEMBL8991164 0.76 LRRK2 (0.40) DYRK1ALRRK2CDK5CDK5R1PIK3CD
SCHEMBL7699827 0.75 DYRK1A (0.54) DYRK1ALRRK2PIK3CDKDM4EALDH1A1
SCHEMBL7695781 0.75 DYRK1A (0.56) DYRK1ALRRK2CDK5CDK5R1PIK3CD
SCHEMBL7697510 0.74 LRRK2 (0.58) DYRK1ALRRK2CDK5CDK5R1PIK3CD
SCHEMBL7703364 0.74 DYRK1A (0.59) DYRK1ALRRK2CDK5CDK5R1PIK3CD
SCHEMBL7701195 0.74 ADK (0.42) DYRK1ALRRK2PIK3CDJAK2JAK1
SCHEMBL7702669 0.73 DYRK1A (0.57) DYRK1ALRRK2PIK3CDKDM4EGAA

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed