SCHEMBL5246579

SCHEMBL5246579

CCNC(=O)c1ccc(-n2cc(C(=O)NCc3cnc(C)cn3)nn2)c(OCCOCCF)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ APP P05067 1/20 0.36
▸ P2RX3 P56373 7/20 0.35
▸ P2RX2 Q9UBL9 7/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ GLS O94925 1/20 0.34
▸ MIF P14174 1/20 0.34

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
SCHEMBL5245389 0.92 P2RX3 (0.37) WDR5MAPTAPPP2RX3P2RX2
SCHEMBL5246767 0.85 MIF (0.47) BRD4GLSMIF
SCHEMBL5244706 0.85 ROCK2 (0.40) BRD4MIF
SCHEMBL5245552 0.85 PDE10A (0.36) APPBRD4BRD2BRD3BRDT
SCHEMBL5244462 0.85 MAPT (0.40) MAPTBRD4MIF
SCHEMBL5250068 0.84 BRD4 (0.36) BRD4MIF
SCHEMBL5247626 0.84 MIF (0.48) MAPTMIF
SCHEMBL5248700 0.84 ROCK2 (0.41) MAPTBRD4MIF
SCHEMBL3113676 0.84 ACKR3 (0.41) BRD4GLS
SCHEMBL5248284 0.84 NPSR1 (0.37) APPBRD4GLSMIF

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
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed
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