SCHEMBL31334535

SCHEMBL31334535

COC(=O)[C@H]1CCC[C@@H](Nc2ncc(F)c(-c3cccc(N4CCCC4)c3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.45
SYK P43405 2/20 0.40
MAPK1 P28482 2/20 0.39
MAP4K1 Q92918 1/20 0.39
CDK2 P24941 5/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNT1 O60563 3/20 0.39
CCNA2 P20248 3/20 0.39
CDK9 P50750 3/20 0.39
CDK7 P50613 2/20 0.39
CCNH P51946 2/20 0.39
STK17A Q9UEE5 1/20 0.39
CCNA1 P78396 1/20 0.38
IGF1R P08069 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 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
SCHEMBL31333524 0.90 SYK (0.42) SYKMAPK1MAP4K1CDK2CDK1
SCHEMBL31333857 0.90 SYK (0.43) SYKMAPK1CDK2CDK1CCNB1
SCHEMBL31334543 0.90 SYK (0.44) SYKMAPK1CDK2CDK1CCNB1
SCHEMBL31333260 0.87 SYK (0.43) IRAK1SYKMAPK1CDK2CCNA2
SCHEMBL31333968 0.86 ADORA1 (0.41) SYKMAPK1CDK2CDK1CCNB1
SCHEMBL31333301 0.86 MAP4K1 (0.42) IRAK1MAPK1MAP4K1CDK2CCNA2
SCHEMBL31333618 0.86 MAP4K1 (0.42) IRAK1MAPK1MAP4K1CDK2CCNA2
SCHEMBL31333650 0.86 IRAK1 (0.41) IRAK1MAPK1CDK2CDK1CCNB1
SCHEMBL31333243 0.82 SYK (0.46) SYKMAPK1CDK2CDK1CCNB1
SCHEMBL31334512 0.82 IRAK1 (0.46) IRAK1MAPK1CDK2CDK1CCNB1

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