SCHEMBL31333464

SCHEMBL31333464

O=C1CC(Nc2ncc(F)c(-c3cccc(-c4ccccc4)c3)n2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.41
HDAC1 Q13547 1/20 0.38
CDK2 P24941 3/20 0.38
CCNE1 P24864 2/20 0.38
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNK O75909 1/20 0.38
CDK9 P50750 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
ADORA2A P29274 3/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MAPK1 P28482 7/20 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
SCHEMBL31334617 0.88 MAPK1 (0.48) ADORA1CDK2CCNE1CDK7CCNH
SCHEMBL31334740 0.86 SYK (0.41) ADORA1CDK2CCNE1CDK7CCNH
SCHEMBL31334614 0.85 HDAC1 (0.48) ADORA1HDAC1CDK2CCNE1CDK7
SCHEMBL31334138 0.78 MAPK8 (0.45) ADORA1HDAC1CDK2CCNE1CDK7
SCHEMBL31333856 0.78 CDK9 (0.50) ADORA1CDK2CCNE1CDK7CCNT1
SCHEMBL31334200 0.78 ADORA1 (0.61) ADORA1CDK2CCNE1ADORA2ACCNB2
SCHEMBL31333320 0.78 ADORA1 (0.61) ADORA1CDK2CCNE1ADORA2ACCNB2
SCHEMBL31334046 0.78 CDK9 (0.50) ADORA1CDK2CCNE1CDK7CCNT1
SCHEMBL31333367 0.78 ADORA1 (0.47) ADORA1CDK2CCNE1ADORA2ACCNB2
SCHEMBL31334719 0.78 ADORA1 (0.47) ADORA1CDK2CCNE1ADORA2ACCNB2

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