SCHEMBL28070623

SCHEMBL28070623

Cc1cn(-n2cnc3c(N)nc(N)nc32)c(=O)nc1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.46
CCNB1 P14635 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
HSP90AA1 P07900 10/20 0.33
HSP90AB1 P08238 10/20 0.33
AHCY P23526 1/20 0.33
HSP90B1 P14625 1/20 0.33
GRM1 Q13255 1/20 0.32

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
SCHEMBL28029278 0.83 ADORA2A (0.46)
SCHEMBL4621403 0.80 XDH (0.50)
SCHEMBL27983442 0.80 CDK1 (0.59) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL6013684 0.77 CDK1 (0.54) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL28998309 0.76 YTHDC1 (0.46)
SCHEMBL15789757 0.74 CDK1 (0.50) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL1825531 0.71 XDH (0.51) CDK1CCNB1CCNE1CDK2
SCHEMBL28788637 0.70 CDK1 (0.43) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL7626823 0.70 CDK1 (0.44) CDK1CCNB1CCNE1CDK2
SCHEMBL28480707 0.69 CDK1 (0.47) CDK1CCNB1CCNE1CDK2HSP90AA1

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
CN-105658800-A CNS delivery of MRNA and uses thereof 夏尔人类遗传性治疗公司 2016-06-08 CN disclosed