SCHEMBL31334777

SCHEMBL31334777

NC(=O)[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(N4CCCOC4=O)n3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.39
CDK2 P24941 7/20 0.38
CDK1 P06493 4/20 0.38
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
MAPK1 P28482 3/20 0.37
CCNA2 P20248 3/20 0.36
CCNA1 P78396 3/20 0.36
MAPK3 P27361 2/20 0.36
MAPK6 Q16659 1/20 0.36
TYK2 P29597 1/20 0.35
MAP4K1 Q92918 1/20 0.35
JUN P05412 1/20 0.34
MAPK10 P53779 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL31333433 0.93 PIM1 (0.38) PIM1CDK2CDK1CDK4CCND1
SCHEMBL31333645 0.90 PIM1 (0.44) PIM1CDK2CDK1CDK4CCND1
SCHEMBL31334433 0.89 MAPK8 (0.40) PIM1CDK2CDK1CDK4CCND1
SCHEMBL31334036 0.88 MAPK1 (0.43) PIM1CDK2CDK1CDK4CCND1
SCHEMBL31334634 0.87 CDK2 (0.39) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31334176 0.87 MAP4K1 (0.40) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31334147 0.86 MAPK1 (0.39) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31335024 0.86 MAPK1 (0.39) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31334417 0.85 MAPK1 (0.41) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31334975 0.85 MAPK1 (0.41) CDK2CDK1CDK4CCND1MAPK1

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