SCHEMBL29318893

SCHEMBL29318893

CCC(C)(CO)CCn1cnc2c(N)nc(SC)nc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
ADORA2A P29274 6/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2B P29275 2/20 0.38
TMIGD3 P0DMS9 2/20 0.37
P2RY1 P47900 2/20 0.37
FBP1 P09467 1/20 0.36

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
SCHEMBL19553855 0.78 ADORA2A (0.53) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19503597 0.78 CDK1 (0.45) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19503305 0.78 CDK1 (0.45) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL29388366 0.77 CDK1 (0.67) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL11251829 0.71 PNP (0.56) CDK1CCNB1CCNE1CDK2P2RY1
SCHEMBL21279729 0.70 ADORA2A (0.51) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL29386483 0.70 CDK1 (0.60) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL14619182 0.70 CDK1 (0.60) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19503611 0.69 CDK1 (0.43) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL9114419 0.69 CCNE1 (0.57) CDK1CCNB1CCNE1CDK2ADORA2A

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
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed