SCHEMBL31333870

SCHEMBL31333870

O=C(O)C1CCC(Nc2ncc(F)c(-c3cccc(N4CCOCC4)c3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.47
AKT1 P31749 2/20 0.47
JAK2 O60674 1/20 0.47
MTOR P42345 1/20 0.47
SYK P43405 6/20 0.46
MAPK1 P28482 5/20 0.45
CDK2 P24941 3/20 0.43
CCNA2 P20248 2/20 0.43
MAPK3 P27361 1/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
CCNE1 P24864 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
CCNA1 P78396 1/20 0.43
ATR Q13535 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL31334566 1.00 PIK3CA (0.47) PIK3CAAKT1JAK2MTORSYK
SCHEMBL31333998 0.92 SYK (0.48) PIK3CAAKT1JAK2MTORSYK
SCHEMBL31333243 0.91 SYK (0.46) SYKMAPK1CDK2CCNA2CCNT1
SCHEMBL31334207 0.90 ADORA1 (0.45) SYKMAPK1CDK2CCNA2CCNT1
SCHEMBL31333373 0.90 AKT1 (0.49) PIK3CAAKT1JAK2MTORSYK
SCHEMBL31334186 0.89 PIK3CA (0.47) PIK3CAAKT1JAK2MTORSYK
SCHEMBL31334203 0.89 JAK2 (0.53) PIK3CAAKT1JAK2MTORSYK
SCHEMBL31333841 0.88 MAP4K1 (0.44) PIK3CAAKT1JAK2MTORSYK
SCHEMBL31334599 0.87 PIK3CA (0.46) PIK3CAAKT1JAK2MTORSYK
SCHEMBL31334913 0.87 CDK2 (0.50) PIK3CAAKT1JAK2MTORSYK

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