SCHEMBL28265674

SCHEMBL28265674

O=CNc1c[nH]c(=O)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
AR P10275 12/20 0.34
RXFP1 Q9HBX9 1/20 0.33
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30

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
SCHEMBL10671983 0.73 PIK3R1 (0.41) WDR5PIK3R1PIK3CAAR
SCHEMBL23259495 0.69 PIK3R1 (0.37) PIK3R1PIK3CAAR
SCHEMBL7699003 0.68 AR (0.44) PIK3R1PIK3CAAR
SCHEMBL9730660 0.68 PIK3R1 (0.38) WDR5PIK3R1PIK3CAAR
SCHEMBL7694139 0.68 ADRA1A (0.50) PIK3R1PIK3CAAR
SCHEMBL7530896 0.68 IDO1 (0.39) RXFP1
SCHEMBL30761169 0.68 AR (0.41) AR
SCHEMBL28294156 0.68 NOTUM (0.41)
SCHEMBL28265668 0.68 MAP4K4 (0.35) ARPIM1PIM3
SCHEMBL24018711 0.67 PIK3R1 (0.38) WDR5PIK3R1PIK3CAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195965-A The inhibitor that WDR5 protein-protein combines 普罗佩纶治疗公司 2019-01-11 CN disclosed