SCHEMBL31334355

SCHEMBL31334355

NC(=O)C1CCCC(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 4/20 0.52
ADORA1 P30542 3/20 0.48
CDK7 P50613 6/20 0.46
MAPK1 P28482 7/20 0.44
CCNT1 O60563 1/20 0.42
CCNK O75909 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL31333846 0.92 MAPK3 (0.56) MAPK3ADORA1CDK7MAPK1CCNT1
SCHEMBL31334779 0.92 MAPK3 (0.56) MAPK3ADORA1CDK7MAPK1CCNT1
SCHEMBL31334595 0.92 MAPK3 (0.56) MAPK3ADORA1CDK7MAPK1CCNT1
SCHEMBL31334474 0.89 MAPK3 (0.54) MAPK3ADORA1CDK7MAPK1CDK9
SCHEMBL31334858 0.89 MAPK3 (0.54) MAPK3ADORA1CDK7MAPK1CDK9
SCHEMBL31333422 0.88 MAPK3 (0.44) MAPK3ADORA1CDK7MAPK1CCNT1
SCHEMBL31334650 0.85 ADORA1 (0.52) ADORA1CDK7MAPK1CCNT1CCNK
SCHEMBL31334197 0.85 ADORA1 (0.52) ADORA1CDK7MAPK1CCNT1CCNK
SCHEMBL31333867 0.85 ADORA1 (0.52) ADORA1CDK7MAPK1CCNT1CCNK
SCHEMBL31333905 0.85 MAPK3 (0.50) MAPK3ADORA1CDK7MAPK1CCNT1

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