SCHEMBL29340205

SCHEMBL29340205

CCC(C)n1cnc2c(NC)ccnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
ADA P00813 1/20 0.38
CDK1 P06493 9/20 0.36
CCNB1 P14635 9/20 0.36
CCNB2 O95067 8/20 0.36
CCNB3 Q8WWL7 8/20 0.36
CDK2 P24941 3/20 0.36
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
MAPK1 P28482 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
CDK9 P50750 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12304435 0.84 ADORA2A (0.46) ADORA2AADORA2BADORA1CDK1CCNB1
SCHEMBL22326755 0.79 ADORA2A (0.61) ADORA2AADORA2BADORA1ADACDK1
SCHEMBL18510377 0.77 CDK1 (0.51) ADORA2AADORA2BADORA1ADACDK1
SCHEMBL25656618 0.77 ADORA2A (0.51) ADORA2AADORA2BADORA1ADACDK1
SCHEMBL19661692 0.75 ADORA2A (0.64) ADORA2AADORA2BADORA1CDK1CCNB1
SCHEMBL24896143 0.73 YTHDC1 (0.51) ADORA2AADORA1CDK1CDK2KDM4E
SCHEMBL18510395 0.71 CDK1 (0.49) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL23199830 0.71 SLC40A1 (0.33) GRM5GRM1
SCHEMBL26354676 0.70 CDK1 (0.65) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL24922789 0.69 CDK1 (0.37) ADORA2AADORA2BADORA1ADACDK1

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-20240240182-A1 HUMAN CHROMOSOME 9 OPEN READING FRAME 72 (C9ORF72) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2024-07-18 US disclosed