SCHEMBL7696404

SCHEMBL7696404

NC(=O)c1c(Br)n(CCc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.54
▸ ADORA1 P30542 2/20 0.54
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ FBP1 P09467 8/20 0.46
▸ CDK1 P06493 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PRKDC P78527 1/20 0.42

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
SCHEMBL7696582 0.78 DYRK1A (0.57) ADORA2AADORA1MEN1KMT2AFBP1
SCHEMBL7699720 0.78 CDK1 (0.46) ADORA2AADORA1MEN1KMT2ACDK1
SCHEMBL7701563 0.77 KDM4E (0.47) ADORA2AADORA1CDK1CCNB1CCNA2
SCHEMBL30582626 0.74 DYRK1A (0.55) ADORA2AADORA1CDK1CCNB1CCNA2
SCHEMBL7701013 0.74 ADORA2A (0.53) ADORA2AADORA1MEN1KMT2AFBP1
SCHEMBL7701581 0.71 DYRK1A (0.55) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL5364361 0.70 ADORA2A (1.00) ADORA2AADORA1FBP1
SCHEMBL7701585 0.70 ADRA1D (0.48) ADORA2AADORA1FBP1CDK1PIK3CD
SCHEMBL7701507 0.69 ADORA2A (0.50) ADORA2AADORA1FBP1CDK1KDM4E
SCHEMBL8991414 0.68 KDM4E (0.57) ADORA2AADORA1MEN1KMT2AFBP1

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
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