SCHEMBL31334337

SCHEMBL31334337

N[C@H]1CC[C@H](Nc2ncc(F)c(-c3ccnc(N4CCOC4=O)c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.42
CDK9 P50750 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
MAPK1 P28482 6/20 0.40
CDK2 P24941 2/20 0.40
CCNA2 P20248 1/20 0.40
MAPK3 P27361 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
PIM1 P11309 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
CCNE1 P24864 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
SCHEMBL31333582 0.95 CDK7 (0.41) CDK7CDK9CCNKCSNK1A1CDK13
SCHEMBL31334772 0.90 MAP4K1 (0.40) MAPK1CDK2CCNA2MAPK3MAPK10
SCHEMBL31333578 0.89 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3CCNB2
SCHEMBL31333693 0.89 CCNK (0.41) CDK7CDK9CCNKCSNK1A1CDK13
SCHEMBL31334969 0.88 MAPK1 (0.42) MAPK1CDK2CCNA2MAPK3MAPK8
SCHEMBL31334637 0.87 MAPK1 (0.42) MAPK1CDK2CCNA2MAPK3CCNB2
SCHEMBL31334329 0.86 CDK9 (0.42) CDK7CDK9CCNKCSNK1A1CDK13
SCHEMBL31334455 0.86 CDK9 (0.42) CDK7CDK9CCNKCSNK1A1CDK13
SCHEMBL31335024 0.85 MAPK1 (0.39) MAPK1CDK2CCNA2MAPK3MAPK10
SCHEMBL31334548 0.85 CDK7 (0.42) CDK7CDK9CCNKCSNK1A1CDK13

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