SCHEMBL31333818

SCHEMBL31333818

CC(=O)N[C@H]1CC[C@H](Nc2ncc(F)c(-c3ccnc(N4CCOCC4=O)c3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.43
BRAF P15056 2/20 0.43
MAPK1 P28482 10/20 0.43
MAPK8 P45983 4/20 0.42
MAPK9 P45984 3/20 0.42
MAPK10 P53779 3/20 0.42
JAK2 O60674 1/20 0.42
CDK2 P24941 4/20 0.42
CCNE1 P24864 3/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK14 Q16539 1/20 0.41
CCNA2 P20248 1/20 0.41
MAPK3 P27361 1/20 0.41
LRRK2 Q5S007 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

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
SCHEMBL31334480 0.90 MAPK1 (0.45) RAF1BRAFMAPK1MAPK8MAPK9
SCHEMBL31334969 0.89 MAPK1 (0.42) MAPK1MAPK8MAPK9MAPK10JAK2
SCHEMBL31333463 0.89 RAF1 (0.42) RAF1BRAFMAPK1MAPK8MAPK9
SCHEMBL31334133 0.89 MAPK1 (0.49) RAF1BRAFMAPK1JAK2CDK2
SCHEMBL31333554 0.89 RAF1 (0.42) RAF1BRAFMAPK1MAPK8MAPK9
SCHEMBL31334761 0.88 MAPK8 (0.43) MAPK1MAPK8MAPK9MAPK10JAK2
SCHEMBL31333693 0.88 CCNK (0.41) RAF1BRAFMAPK1MAPK8MAPK10
SCHEMBL31333274 0.88 MAPK8 (0.43) MAPK1MAPK8MAPK9MAPK10JAK2
SCHEMBL31334815 0.87 MAP4K1 (0.45) MAPK1MAPK8JAK2CDK2CCNE1
SCHEMBL31334585 0.87 MAP4K1 (0.42) MAPK1MAPK8MAPK9MAPK10JAK2

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