SCHEMBL31333653

SCHEMBL31333653

N[C@H]1CC[C@H](Nc2ncc(F)c(-c3ccnc(N4CCCCC4=O)c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.42
CDK9 P50750 2/20 0.42
CCNK O75909 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK13 Q14004 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
MAPK8 P45983 6/20 0.39
MAPK10 P53779 6/20 0.39
HRH4 Q9H3N8 1/20 0.39
CDK2 P24941 3/20 0.39
CCNE1 P24864 2/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
MAPK9 P45984 5/20 0.38
MAPK14 Q16539 5/20 0.38

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
SCHEMBL31334548 0.97 CDK7 (0.42) CDK7CDK9CCNKCSNK1A1CDK13
SCHEMBL31333826 0.90 MAPK1 (0.39) MAPK8MAPK10CDK2CCNE1CCNB2
SCHEMBL31333241 0.89 ADORA2A (0.40) MAPK8MAPK10CDK2CCNE1CCNB2
SCHEMBL31333274 0.88 MAPK8 (0.43) CDK9MAPK8MAPK10CDK2CCNE1
SCHEMBL31333975 0.87 PRKD1 (0.40) MAPK8MAPK10CDK2CCNE1CCNB2
SCHEMBL31333693 0.87 CCNK (0.41) CDK7CDK9CCNKCSNK1A1CDK13
SCHEMBL31334320 0.87 MAPK1 (0.39) MAPK8MAPK10CDK2CCNE1CCNB2
SCHEMBL31333582 0.86 CDK7 (0.41) CDK7CDK9CCNKCSNK1A1CDK13
SCHEMBL31334271 0.86 ADORA2A (0.40) MAPK8MAPK10CDK2CCNE1CCNB2
SCHEMBL31333432 0.85 CDK9 (0.43) CDK7CDK9CCNKCSNK1A1CDK13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed