SCHEMBL31333754

SCHEMBL31333754

N[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(N4CCOCC4=O)n3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.42
CDK7 P50613 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
CCNT1 O60563 3/20 0.42
MAP4K1 Q92918 2/20 0.42
MAPK14 Q16539 4/20 0.40
MAPK8 P45983 3/20 0.40
MAPK10 P53779 3/20 0.40
MAPK9 P45984 2/20 0.40
PTGS2 P35354 1/20 0.38
MAPK1 P28482 2/20 0.38
CDK1 P06493 2/20 0.37
CDK2 P24941 2/20 0.37
PIK3CA P42336 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
HRH4 Q9H3N8 2/20 0.37

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
SCHEMBL31334176 0.90 MAP4K1 (0.40) CCNT1MAP4K1MAPK14MAPK8MAPK10
SCHEMBL31334500 0.89 MAP4K1 (0.41) CCNT1MAP4K1MAPK14MAPK8MAPK10
SCHEMBL31334585 0.88 MAP4K1 (0.42) MAP4K1MAPK14MAPK8MAPK10MAPK9
SCHEMBL31333432 0.86 CDK9 (0.43) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31334841 0.86 CDK2 (0.42) CSNK1A1MAP4K1MAPK14MAPK8MAPK9
SCHEMBL31333645 0.86 PIM1 (0.44) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333693 0.86 CCNK (0.41) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333681 0.84 MAP4K1 (0.46) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31334776 0.84 MAP4K1 (0.39) CDK7MAP4K1PTGS2MAPK1CDK1
SCHEMBL31333753 0.84 MAPK1 (0.46) MAP4K1MAPK14MAPK8MAPK10MAPK9

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