SCHEMBL31333650

SCHEMBL31333650

COC(=O)[C@H]1CCC[C@@H](Nc2ncc(F)c(-c3cccc(N4CCCOC4=O)c3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.41
MAPK1 P28482 6/20 0.39
CDK2 P24941 2/20 0.36
CCNA2 P20248 1/20 0.36
MAPK3 P27361 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
PIK3CD O00329 2/20 0.35
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
CDK7 P50613 2/20 0.34
CCND1 P24385 2/20 0.34
CDK6 Q00534 2/20 0.34
EGFR P00533 2/20 0.34

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
SCHEMBL31333990 0.93 MAPK1 (0.45) IRAK1MAPK1CDK2CCNA2MAPK3
SCHEMBL31334432 0.92 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3ADORA2A
SCHEMBL31333589 0.92 MAPK1 (0.39) MAPK1CDK2CCNA2MAPK3ADORA1
SCHEMBL31334159 0.92 MAPK1 (0.39) MAPK1CDK2CCNA2MAPK3ADORA1
SCHEMBL31334737 0.91 MAPK1 (0.39) MAPK1CDK2CCNA2MAPK3PIK3CD
SCHEMBL31333618 0.88 MAP4K1 (0.42) IRAK1MAPK1CDK2CCNA2MAPK3
SCHEMBL31333301 0.88 MAP4K1 (0.42) IRAK1MAPK1CDK2CCNA2MAPK3
SCHEMBL31333553 0.88 MAPK1 (0.42) MAPK1CDK2CCNA2MAPK3ADORA2A
SCHEMBL31334535 0.86 IRAK1 (0.45) IRAK1MAPK1CDK2CCNA2ADORA2A
SCHEMBL31333597 0.85 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3ADORA1

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