SCHEMBL22305377

SCHEMBL22305377

Cn1cc(N2CCN(c3cccc(C4=CCC(NC(=O)CNC(=O)c5ccn(C(C)(C)C)c5)=N4)n3)CC2)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ WNT1 P04628 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ EIF2AK4 Q9P2K8 1/20 0.31
▸ EGFR P00533 1/20 0.31

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
SCHEMBL22306171 0.81 KIF18A (0.39) —
SCHEMBL22305371 0.76 SMN1; SMN2 (0.41) —
SCHEMBL22305340 0.76 HTR1A (0.31) HTR1A
SCHEMBL22305339 0.76 HTR1A (0.31) HTR1A
SCHEMBL22305354 0.76 CYP3A4 (0.32) —
SCHEMBL22306833 0.75 — —
SCHEMBL22306478 0.74 POLB (0.34) —
SCHEMBL22306402 0.74 — —
SCHEMBL22306593 0.71 CYP3A4 (0.42) —
SCHEMBL22305735 0.70 CYP3A4 (0.41) —

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
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
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