SCHEMBL31334512

SCHEMBL31334512

COC(=O)C1CCCC(Nc2ncc(F)c(-c3cccc(-c4ccnc(OC)c4)c3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.46
MAPK1 P28482 5/20 0.39
TBK1 Q9UHD2 2/20 0.38
NR4A2 P43354 1/20 0.38
DHODH Q02127 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK9 P50750 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK3 Q00526 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
EGFR P00533 1/20 0.37
CNR1 P21554 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL31334949 1.00 IRAK1 (0.46) IRAK1MAPK1TBK1NR4A2DHODH
SCHEMBL31333579 0.91 PDGFRB (0.41) IRAK1MAPK1NR4A2DHODHCDK1
SCHEMBL31334424 0.85 IRAK1 (0.45) IRAK1MAPK1TBK1CCNT1CDK1
SCHEMBL31333519 0.85 IRAK1 (0.45) IRAK1MAPK1TBK1CCNT1CDK1
SCHEMBL31334177 0.83 MAPK8 (0.44) IRAK1MAPK1CCNT1CDK1CCNB1
SCHEMBL31334490 0.83 MAPK1 (0.40) IRAK1MAPK1CCNT1CDK1CCNB1
SCHEMBL31333798 0.83 MAPK1 (0.40) IRAK1MAPK1CCNT1CDK1CCNB1
SCHEMBL31333629 0.82 CDK2 (0.47) IRAK1MAPK1CDK1CCNB1CCNE1
SCHEMBL31334535 0.82 IRAK1 (0.45) IRAK1MAPK1CCNT1CDK1CCNB1
SCHEMBL31334123 0.81 MAPK3 (0.47) IRAK1MAPK1CCNT1CCNE1CDK2

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