SCHEMBL31333629

SCHEMBL31333629

COc1cc(-c2cccc(-c3nc(NC4CCN(C(C)=O)CC4)ncc3F)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.47
CDK1 P06493 4/20 0.47
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
MAPK1 P28482 8/20 0.45
MAPK14 Q16539 1/20 0.44
IRAK1 P51617 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
GSK3B P49841 2/20 0.43
DYRK2 Q92630 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43
CSNK1G2 P78368 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
MINK1 Q8N4C8 1/20 0.43

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
SCHEMBL31334440 0.88 IRAK1 (0.49) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31334177 0.88 MAPK8 (0.44) CDK2CDK1MAPK1MAPK14IRAK1
SCHEMBL31333579 0.86 PDGFRB (0.41) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31334873 0.84 CDK2 (0.47) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31334512 0.82 IRAK1 (0.46) CDK2CDK1MAPK1MAPK14IRAK1
SCHEMBL31334949 0.82 IRAK1 (0.46) CDK2CDK1MAPK1MAPK14IRAK1
SCHEMBL31333408 0.82 DYRK2 (0.48) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31334738 0.82 DYRK2 (0.43) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31334225 0.82 MAPK14 (0.45) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL31335006 0.80 CDK2 (0.45) CDK2CDK1CDK4CCND1MAPK1

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