SCHEMBL31333432

SCHEMBL31333432

N[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(N4CCCCC4=O)n3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.43
CDK7 P50613 2/20 0.43
CCNK O75909 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
CCNT1 O60563 4/20 0.43
MAPK8 P45983 6/20 0.42
MAPK10 P53779 6/20 0.42
MAPK9 P45984 5/20 0.42
MAPK14 Q16539 4/20 0.42
CDK2 P24941 5/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 2/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK5 Q00535 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
SCHEMBL31334634 0.89 CDK2 (0.39) MAPK8MAPK10MAPK9CDK2CDK1
SCHEMBL31333666 0.88 CDK2 (0.38) MAPK8MAPK10MAPK9CDK2CDK1
SCHEMBL31334008 0.88 CDK2 (0.41) MAPK8MAPK10MAPK9MAPK14CDK2
SCHEMBL31333645 0.86 PIM1 (0.44) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333754 0.86 CDK9 (0.42) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333653 0.85 CDK7 (0.42) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333873 0.84 SYK (0.49) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333937 0.83 CKS1B (0.42) MAPK8CDK2CDK1CDK4CCND1
SCHEMBL31334548 0.83 CDK7 (0.42) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333557 0.80 CDK9 (0.44) CDK9CDK7CCNKCSNK1A1CDK13

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