SCHEMBL31334689

SCHEMBL31334689

O=C1CCC(Nc2ccc(N3CCC(N4CCC(NC(=O)[C@H]5CC[C@H](Nc6ncc(F)c(-c7cccc(N8CCOCC8=O)c7)n6)CC5)CC4)C(F)C3)c(F)c2)C(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.32
MAPK1 P28482 2/20 0.32
MAP4K1 Q92918 2/20 0.31
KDR P35968 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
CDK13 Q14004 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL31333456 0.98 BTK (0.32) BTKMAPK1MAP4K1KDRCCNT1
SCHEMBL31334820 0.93 SYK (0.34) CCNT1CCNKCCNA2CDK2CDK7
SCHEMBL31333720 0.92 CDK4 (0.36) BTKMAPK1MAP4K1KDRCCNT1
SCHEMBL31333881 0.92 BTK (0.35) BTKMAPK1CCNT1CCNKCCNA2
SCHEMBL31333594 0.91 CCNT1 (0.32) MAPK1CCNT1CCNKCCNA2CDK2
SCHEMBL31335053 0.91 SYK (0.34) CCNT1CCNKCCNA2CDK2CDK7
SCHEMBL31334051 0.91 CDK4 (0.36) BTKMAPK1MAP4K1CCNT1CCNA2
SCHEMBL31333209 0.91 CCNT1 (0.34) CCNT1CCNKCCNA2CDK2CDK7
SCHEMBL31334128 0.90 BTK (0.33) BTKMAPK1MAP4K1KDR
SCHEMBL31334525 0.90 CCNT1 (0.33) MAPK1CCNT1CCNKCCNA2CDK2

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