SCHEMBL31334177

SCHEMBL31334177

COc1cc(-c2cccc(-c3nc(N[C@H]4CC[C@H](NC(C)=O)CC4)ncc3F)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.44
MAPK14 Q16539 1/20 0.44
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
CDK2 P24941 4/20 0.41
CCNE1 P24864 3/20 0.41
CYP2C9 P11712 1/20 0.41
MCHR1 Q99705 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
CDK1 P06493 3/20 0.40
CDK5 Q00535 3/20 0.40
CDK9 P50750 2/20 0.40
CDK3 Q00526 2/20 0.40
CCNB1 P14635 2/20 0.40
CDK5R1 Q15078 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL31333579 0.89 PDGFRB (0.41) CDK2CCNE1CDK1CDK5CCNB1
SCHEMBL31333629 0.88 CDK2 (0.47) MAPK8MAPK14MAPK9CDK2CCNE1
SCHEMBL31333452 0.88 MAPK8 (0.50) MAPK8MAPK14MAPK9MAPK10CDK2
SCHEMBL31334949 0.83 IRAK1 (0.46) MAPK14CDK2CCNE1CYP2C9CDK1
SCHEMBL31334512 0.83 IRAK1 (0.46) MAPK14CDK2CCNE1CYP2C9CDK1
SCHEMBL31333835 0.83 MCHR1 (0.44) MAPK8MAPK14MAPK9MAPK10CDK2
SCHEMBL31334783 0.81 MAPK8 (0.45) MAPK8MAPK14MAPK9MAPK10CDK2
SCHEMBL31334517 0.81 CSNK2A2 (0.49) MAPK8MAPK14MAPK9MAPK10MCHR1
SCHEMBL31334973 0.81 MAPK8 (0.41) MAPK8MAPK14MAPK9MAPK10CDK2
SCHEMBL31334673 0.80 MAPK8 (0.40) MAPK8MAPK14MAPK9MAPK10CDK2

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