SCHEMBL31334081

SCHEMBL31334081

O=C1CCC(Nc2ccc(N3CCC(N4CCC(C(=O)N[C@H]5CC[C@H](Nc6ncc(F)c(-c7cccc(N8CCCOC8=O)c7)n6)CC5)CC4)C(F)(F)C3)c(F)c2)C(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
CSF1R P07333 2/20 0.31
CDK4 P11802 2/20 0.31
CDK6 Q00534 2/20 0.31
BTK Q06187 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
MAPK1 P28482 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
SCHEMBL31334944 0.98 CYP3A4 (0.32) CYP3A4CSF1RCDK4CDK6BTK
SCHEMBL31335010 0.92 SYK (0.34) CYP3A4CCNT1CCNKCCNA2CDK2
SCHEMBL31333770 0.92 CDK4 (0.38) CSF1RCDK4CDK6BTKCCNT1
SCHEMBL31334943 0.92 CDK4 (0.38) CSF1RCDK4CDK6BTKCCNT1
SCHEMBL31334322 0.92 CDK4 (0.38) CSF1RCDK4CDK6BTKCCNT1
SCHEMBL31333512 0.91 BTK (0.33) CYP3A4BTKMAPK1
SCHEMBL31334615 0.91 CYP3A4 (0.34) CYP3A4CSF1RCDK4CDK6BTK
SCHEMBL31334359 0.91 SYK (0.34) CYP3A4CCNT1CCNKCCNA2CDK2
SCHEMBL31333635 0.91 CDK4 (0.38) CSF1RCDK4CDK6BTKCCNT1
SCHEMBL31334525 0.90 CCNT1 (0.33) CSF1RCDK4CDK6CCNT1CCNK

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