SCHEMBL31334366

SCHEMBL31334366

NC(=O)[C@@H]1CCC[C@H](Nc2ncc(F)c(-c3cccc(-c4ccc[nH]c4=O)c3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.45
CDK9 P50750 5/20 0.45
CCNK O75909 4/20 0.45
CCNE1 P24864 4/20 0.45
CDK2 P24941 4/20 0.45
CDK12 Q9NYV4 4/20 0.45
CDK7 P50613 7/20 0.39
ADORA1 P30542 3/20 0.38
MAPK3 P27361 1/20 0.38
CCNH P51946 2/20 0.37
MNAT1 P51948 2/20 0.37
MAPK1 P28482 3/20 0.37
MAP4K1 Q92918 1/20 0.36
MAPK8 P45983 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CD38 P28907 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
SCHEMBL31334625 1.00 CCNT1 (0.45) CCNT1CDK9CCNKCCNE1CDK2
SCHEMBL31334562 0.95 CDK2 (0.42) CCNT1CDK9CCNKCCNE1CDK2
SCHEMBL31334998 0.92 CCNT1 (0.45) CCNT1CDK9CCNKCCNE1CDK2
SCHEMBL31333986 0.92 CCNT1 (0.45) CCNT1CDK9CCNKCCNE1CDK2
SCHEMBL31334804 0.91 CDK2 (0.43) CCNT1CDK9CCNKCCNE1CDK2
SCHEMBL31334122 0.91 CDK2 (0.43) CCNT1CDK9CCNKCCNE1CDK2
SCHEMBL31334899 0.87 CCNT1 (0.43) CCNT1CDK9CCNKCCNE1CDK2
SCHEMBL31334377 0.86 CDK7 (0.39) CCNT1CDK9CCNKCCNE1CDK2
SCHEMBL31333422 0.86 MAPK3 (0.44) CCNT1CDK9CCNKCCNE1CDK2
SCHEMBL31334963 0.85 CDK9 (0.43) CCNT1CDK9CCNKCCNE1CDK2

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