SCHEMBL31334585

SCHEMBL31334585

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.42
MAPK8 P45983 5/20 0.41
MAPK9 P45984 4/20 0.41
MAPK10 P53779 4/20 0.41
CDK2 P24941 3/20 0.41
CCNE1 P24864 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK14 Q16539 2/20 0.41
LRRK2 Q5S007 4/20 0.40
MAPK1 P28482 6/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
JAK2 O60674 1/20 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
SCHEMBL31334841 0.90 CDK2 (0.42) MAP4K1MAPK8MAPK9CDK2CCNE1
SCHEMBL31334500 0.89 MAP4K1 (0.41) MAP4K1MAPK8MAPK9MAPK10CDK2
SCHEMBL31334574 0.89 MAPK1 (0.46) MAP4K1MAPK8CDK2MAPK14MAPK1
SCHEMBL31334176 0.88 MAP4K1 (0.40) MAP4K1MAPK8MAPK9MAPK10CDK2
SCHEMBL31333754 0.88 CDK9 (0.42) MAP4K1MAPK8MAPK9MAPK10CDK2
SCHEMBL31334008 0.87 CDK2 (0.41) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL31333818 0.87 RAF1 (0.43) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL31334433 0.87 MAPK8 (0.40) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL31334815 0.85 MAP4K1 (0.45) MAP4K1MAPK8CDK2CCNE1MAPK14
SCHEMBL31334927 0.85 MAP4K1 (0.45) MAP4K1MAPK8CDK2CCNE1MAPK14

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