SCHEMBL19829082

SCHEMBL19829082

CCn1cnc2c(C)nc(N)nc21

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.73
CDK2 P24941 4/20 0.73
CDK1 P06493 3/20 0.73
CCNB1 P14635 3/20 0.73
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
HSP90AB1 P08238 9/20 0.51
HSP90AA1 P07900 8/20 0.51
CYP2C19 P33261 1/20 0.46
TLR9 Q9NR96 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
SLC29A1 Q99808 1/20 0.45
TMIGD3 P0DMS9 1/20 0.42
ADORA2B P29275 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
SCHEMBL8767031 0.84 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL28221531 0.82 ADORA2A (0.53) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL17860490 0.81 CCNE1 (0.71) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL27854926 0.81 CDK1 (0.71) CCNE1CDK2CDK1CCNB1HSP90AB1
SCHEMBL27320701 0.81 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL12193833 0.79 CCNE1 (0.48) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL14611764 0.79 CDK1 (0.48) CCNE1CDK2CDK1CCNB1HSP90AB1
SCHEMBL17364319 0.79 CDK1 (0.67) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL18521191 0.79 CCNE1 (0.67) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL26036734 0.79 CDK1 (0.67) CCNE1CDK2CDK1CCNB1ADORA2A

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-20180029905-A1 THERMORESPONSIVE POLYMERS FOR AQUEOUS APPLICATIONS PHILLIPS 66 COMPANY (US) 2018-02-01 US disclosed