SCHEMBL19669761

SCHEMBL19669761

Cc1cncc(-c2ccc(N)c(N(C(=O)Nc3ccncn3)C3CCCCC3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 5/20 0.36
▸ WDR77 Q9BQA1 5/20 0.36
▸ ATR Q13535 1/20 0.36
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ GNRHR P30968 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ MAP4K1 Q92918 2/20 0.32

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
SCHEMBL19670409 0.91 PRMT5 (0.42) PRMT5WDR77ATR
SCHEMBL19706071 0.89 MAPK1 (0.33) PRMT5WDR77HDAC1HDAC2HDAC3
SCHEMBL19670630 0.89 HDAC1 (0.40) PRMT5WDR77HDAC1HDAC2HDAC3
SCHEMBL19365798 0.89 PIK3C3 (0.38) ATRHDAC1HDAC2HDAC3IGF1R
SCHEMBL19364807 0.88 ATR (0.35) ATRHDAC1HDAC2HDAC3IGF1R
SCHEMBL19365336 0.88 ATR (0.37) ATRHDAC1HDAC2HDAC3MAPK1
SCHEMBL19365606 0.88 ATR (0.48) ATRHDAC1HDAC2HDAC3IGF1R
SCHEMBL19670256 0.88 FGFR4 (0.36) PRMT5WDR77HDAC1HDAC2HDAC3
SCHEMBL19670520 0.88 CPT1A (0.37) ATRHDAC1HDAC2HDAC3IGF1R
SCHEMBL19670372 0.86 HDAC1 (0.36) PRMT5WDR77HDAC1HDAC2HDAC3

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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