SCHEMBL31334643

SCHEMBL31334643

O=C1CCC(Nc2ccc(N3CCN([C@H]4CC[C@H](NC(=O)[C@H]5CC[C@H](Nc6ncc(F)c(-c7cccc(N8CCOCC8=O)c7)n6)CC5)CC4)CC3)c(F)c2)C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.35
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CSF1R P07333 2/20 0.34
CDK4 P11802 2/20 0.34
CDK6 Q00534 2/20 0.34
MAPK1 P28482 2/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MAP4K1 Q92918 2/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL31333256 1.00 BTK (0.35) BTKCCNT1CCNA2CDK2CDK9
SCHEMBL31333720 0.96 CDK4 (0.36) BTKCCNT1CCNA2CDK2CDK9
SCHEMBL31334051 0.96 CDK4 (0.36) BTKCCNT1CCNA2CDK2CDK9
SCHEMBL31335033 0.93 BTK (0.38) BTKCCNT1CCNA2CDK2CDK9
SCHEMBL31334348 0.93 BTK (0.38) BTKCCNT1CCNA2CDK2CDK9
SCHEMBL31334633 0.93 CSF1R (0.36) BTKCCNT1CCNA2CDK2CDK9
SCHEMBL31333440 0.92 SYK (0.36) CCNT1CCNA2CDK2CDK9CSF1R
SCHEMBL31334699 0.92 CCNA2 (0.34) CCNT1CCNA2CDK2CDK9CSF1R
SCHEMBL31333225 0.92 SYK (0.36) CCNT1CCNA2CDK2CDK9CSF1R
SCHEMBL31334142 0.92 CCNA2 (0.34) CCNT1CCNA2CDK2CDK9CSF1R

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