SCHEMBL29923978

SCHEMBL29923978

COC(=O)c1cc2c(c(-c3cn(C)nc3C(F)(F)F)c1)CCNC2=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NTRK1 P04629 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 3/20 0.35
CREBBP Q92793 3/20 0.35
MAPK14 Q16539 2/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL24916099 1.00 WDR5 (0.42) WDR5PDE3BPDE3ANTRK1GAA
SCHEMBL29923684 0.89 WDR5 (0.40) WDR5PDE3BPDE3ANTRK1BRD4
SCHEMBL24916095 0.87 WDR5 (0.39) WDR5ALDH1A1POLBMAPTNPSR1
SCHEMBL30054457 0.82 WDR5 (0.46) WDR5PDE3BPDE3ABRD4CREBBP
SCHEMBL24916117 0.82 WDR5 (0.46) WDR5PDE3BPDE3ABRD4CREBBP
SCHEMBL27167325 0.82 WDR5 (0.44) WDR5PDE3BPDE3AGAAALDH1A1
SCHEMBL24915754 0.80 WDR5 (0.46) WDR5PDE3BPDE3ABRD4
SCHEMBL30055237 0.80 WDR5 (0.46) WDR5PDE3BPDE3ABRD4
SCHEMBL29923286 0.78 PARP1 (0.48) WDR5PDE3BPDE3A
SCHEMBL24916292 0.75 WDR5 (0.54) WDR5PDE3BPDE3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334305-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2024-03-13 EP disclosed
WO-2022236101-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2022-11-10 WO disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed