SCHEMBL31334599

SCHEMBL31334599

N[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(N4CCOCC4)c3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.46
AKT1 P31749 1/20 0.46
MTOR P42345 1/20 0.46
CDK9 P50750 4/20 0.46
CDK2 P24941 4/20 0.46
CCNT1 O60563 3/20 0.46
CCNE1 P24864 1/20 0.46
CCNA2 P20248 3/20 0.45
CDK7 P50613 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNH P51946 1/20 0.45
CCNA1 P78396 1/20 0.45
SYK P43405 4/20 0.45
CCNK O75909 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK13 Q14004 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
JAK2 O60674 1/20 0.44
CDK6 Q00534 3/20 0.43

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
SCHEMBL31334186 0.90 PIK3CA (0.47) PIK3CAAKT1MTORCDK9CDK2
SCHEMBL31334913 0.90 CDK2 (0.50) PIK3CAAKT1MTORCDK9CDK2
SCHEMBL31333646 0.90 CDK9 (0.46) CDK9CDK2CCNT1CCNE1CDK7
SCHEMBL31333892 0.89 CDK6 (0.49) PIK3CAAKT1MTORCDK9CDK2
SCHEMBL31333998 0.88 SYK (0.48) PIK3CAAKT1MTORCDK9CDK2
SCHEMBL31334566 0.87 PIK3CA (0.47) PIK3CAAKT1MTORCDK9CDK2
SCHEMBL31333870 0.87 PIK3CA (0.47) PIK3CAAKT1MTORCDK9CDK2
SCHEMBL31333681 0.86 MAP4K1 (0.46) PIK3CACDK9CDK2CCNE1CCNA2
SCHEMBL31334203 0.86 JAK2 (0.53) PIK3CAAKT1MTORCDK9CDK2
SCHEMBL31334222 0.84 JAK2 (0.51) PIK3CAAKT1MTORCDK9CDK2

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