SCHEMBL7703364

SCHEMBL7703364

C=CCn1c(Br)c(C#N)c2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.59
ADORA2A P29274 3/20 0.51
ADORA1 P30542 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2B P29275 1/20 0.51
LRRK2 Q5S007 10/20 0.48
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
HSPA8 P11142 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
SCHEMBL7699825 0.80 DYRK1A (0.51) DYRK1AADORA2AADORA1LRRK2CDK5
SCHEMBL8991102 0.77 DYRK1A (0.56) DYRK1AADORA2AADORA1LRRK2HSD17B10
SCHEMBL7695781 0.77 DYRK1A (0.56) DYRK1AADORA2AADORA1LRRK2CDK5
SCHEMBL7698534 0.77 DYRK1A (0.60) DYRK1AADORA2AADORA1ADORA3ADORA2B
SCHEMBL7699589 0.76 DYRK1A (0.55) DYRK1AADORA2AADORA1LRRK2CDK5
SCHEMBL7696582 0.75 DYRK1A (0.57) DYRK1AADORA2AADORA1LRRK2HSD17B10
SCHEMBL7697867 0.75 DYRK1A (0.54) DYRK1AADORA2AADORA1LRRK2CDK5
SCHEMBL7702669 0.75 DYRK1A (0.57) DYRK1AADORA2AADORA1LRRK2HSD17B10
SCHEMBL30582621 0.75 DYRK1A (1.00) DYRK1AADORA2AADORA1ADORA2BLRRK2
SCHEMBL26110102 0.75 DYRK1A (1.00) DYRK1AADORA2AADORA1ADORA2BLRRK2

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed